J Appl Toxicol. This main layer contains sublayers for the chemical formula, atom connections and hydrogen atoms. To confirm if a substance is covered by a specific legislative framework the official publication should be consulted.Reproduction or further distribution of this information may be subject to copyright protection. If more than one IUPAC name is available from REACH registered dossiers, all IUPAC names are displayed in ‘Other names’ section of the Brief Profile. The quality and correctness of the information remains the responsibility of the data submitter. LC50 for freshwater fish provides substance information on the substance’s lethal concentration for 50% of the freshwater fish in the test, displayed in milligram per litre. This section searches three sources for information (harmonised classification and labelling (CLH), REACH registrations and CLP notifications). Dipotassium phthalate. EC50/LC50 for marine sediment provides substance information on the substance’s effect concentration or lethal concentration for 50% of the model organisms feeding off the marine sediment, generally displayed in milligrams per kilogram sediment (dry weight). This section summarises the values related to toxicity to birds from all registered dossiers for the substance. Phthalates have been used in food contact materials and are generally allowed for this use. Thirdly the display of data is prioritised by units. This section summarises the values related to phototransformation in air from all registered dossiers for the substance. Potassium Bipthalate . pKa values of Carboxylic acids, Alcohols, Phenols , Amines. Dissipation half-life provides substance information on the substance’s dissipation half-life for the parent compound per second/minute/hour/day/week/month/year. 215–540–4, is covered by three harmonisations – 005–011–00–4; 005–011–01–1; 005–011–02–9), CLH information cannot be displayed in the Brief Profile as the differences between the CLH classifications require manual verification. ECHA’s Guidance Chapter R.12: Use Descriptor system of ECHA’s Guidance on information requirements and chemical safety assessment, ECHA guidance chapter R.12: Use Descriptor system of ECHA Guidance on information requirements and chemical safety assessment, Guidance on the safe use of the substance, Endocrine disrupter testing in aquatic vertebrates – in vivo, Active/Inactive (pending). Derived No- or Minimal Effect Level (DN(M)EL), Toxicokinetics, metabolism, and distribution, Endocrine disrupter mammalian screening - in vivo. Dermal route provides substance information on the substance’s acute toxicity via the dermal route. Displayed are the RANGES of min – max of the PRIORITISED value(s) within the five highest priority groupings of provided data. This section summarises the Ecotoxicological information provided from all registered dossiers for the substance. Kinetic studies of the intramolecular carboxylic-group assisted hydrolysis of amide bond of phthalamic acid provided the value of pseudo-first order rate constant (k obs ) as 5.1×10 -5 sec -1 at pH 1.3-1.8 and 35 ° C. Duis pulvinar non magna ac viverra. Values are generally displayed in milligram per litre. Displayed is the MOST CONSERVATIVE of the value(s) provided, ranking in the order as below. 1–4.Plenum Press: New York, 1976. This section summarises the dissociating values from all registered dossiers for the substance. Bioaccumulation Factor (terrestrial species) L/kg ww provides substance information on the substance’s terrestrial bioaccumulative properties measured in litre per kilogram (wet weight). This section displays the values (see below) related to toxicokinetics, metabolism, and distribution from all registered dossiers for the substance. Skin irritation/corrosion provides substance information on the substance’s irritation/corrosion effect on the skin. In that case, the ATP (Adaptation to Technical Progress) number is displayed. Close Find out more on how we use cookies. This section provides an overview of the type of study records behind the presented results and – if applicable - data waving justifications. Analytical Method for Naphthalene and 1,4-Naphthoquinone. Values are generally displayed in milligram per litre. Long-term EC10 or LC10 or NOEC for birds provides substance information on the substance’s effect concentration or lethal concentration (long term) for 10% of the birds in the test, or the no observed effect concentration for birds. Important to say is that upon dissociation of the acid has two processes through which it passes to reach di carbanion anion. Note: Registrants can also select ‘other’ as the test species. Data is generally displayed in milligrams per kilogram in the case of soil (dry/wet weight), or gram per hectare. In case the substance classification is not harmonised and the substance is not registered the properties are derived from classifications provided in CLP notifications. This substance is used in the following activities or processes at workplace: mixing in open batch processes, transfer of chemicals, transfer of substance into small containers and treatment of articles by dipping and pouring. EC10 / LC10 or NOEC for marine water algae provides substance information on the substance’s effect concentration/lethal concentration for 10% of the tested marine water algae or the no observed effect concentration for marine water algae. Note: Registrants can also select ‘other’ as the dose descriptor type or unit of measure. Phthalic acid, H2(C8H404), is a diprotic acid used in the synthesis of phenolphthalein indicator. There are four methods to aggregate and summarise data, depending on the available data and endpoint. Short-term EC50 or LC50 for terrestrial plants provides substance information on the substance’s effect concentration or lethal concentration (short term) for 50% of the terrestrial plants in the test, generally displayed in milligram per kilo soil (dry weight). If more than one value is found for this section, the range of min-max values will be displayed here. If so, the data provided is not processed for the Brief Profile. This section displays the values related to endocrine disrupter mammalian screening from all registered dossiers for the substance. Ka2= 3.1 X 10^-6. Therefore, data has to fit the format and aggregation logic that is used for the Brief Profile. Note: Registrants can also select ‘BMD’, ‘BMC’, ‘dose level’ and ‘conc. More detailed information is available in the dossiers. Data is generally displayed in milligrams per kilogram bodyweight per day.Prioritization by test species: See ‘Summary effect on fertility oral route’. References 1. This section summarises the values related to phototransformation in soil from all registered dossiers for the substance. ECHA has no public registered data indicating whether or in which chemical products the substance might be used. Data for workers – eye exposure provides information on the substance’s hazard assessment conclusions regarding eye exposure (for workers). The data presented in these sections has been cleaned to remove names of one character or less, or names which consist solely of punctuation or numerical characters. the level of agreement, in substance classification between the REACH registrants (dark blue bar) and CLP notifiers (light blue bar), as well as between the notified classifications and the approved harmonised classification. The CLP Regulation makes sure that the hazards presented by chemicals are clearly communicated to workers and consumers in the European Union. Processable data is prioritised by the toxicity descriptor type (see list below) and subsequently further prioritised by duration (longer prioritised over shorter). Proin faucibus mollis lectus ut fermentum. The derived no- or minimum effect level (DN(M)EL) is the level of exposure above which a human should not be exposed to a substance. the minimum numerical value associated with the highest priority picklist item. Data is generally displayed in milligram per litre or molar per litre. Please upgrade your Internet Explorer to a newer version. , 2015, 17 , 6383 These study results can however be consulted when opening the source data. Phthalate is an environmental chemical of heightened public concern because reports of its potential risk to male reproductive health (PMID 16804814 ), being significantly associated with reduced sperm concentration to pesticide concentration in men's urine (PMID 16804812 ). Degradation rate constant (OH Radicals) provides substance information on the substance’s degradation rate constant with OH Radicals as a reaction type in cm3molecule-1s-1, cm3molecule-1d-1, m3molecule-1s-1 or m3molecule-1d-1. If impurities and/or additives have been identified, an informative sentence is displayed below the graphic. The quality and correctness of the information remains the responsibility of the data submitter. Prioritization by the dose descriptor type: Displayed in all cases is the MOST CONSERVATIVE of the value(s) provided, ranking in the order as above, i.e. Thirdly the display of data is prioritised by units. Displayed are the RANGES of min – max of the PRIORITISED value(s) within the five highest priority groupings of provided data. Danger! Note: Registrants can also select ‘other’ as the type of density. If more than one value is available, results are displayed as concatenated distinct values, ordered from most to least commonly provided, with the percentage of provided values appended. This substance is used in the following activities or processes at workplace: transfer of chemicals, mixing in open batch processes, transfer of substance into small containers, treatment of articles by dipping and pouring and laboratory work. Ka1= 1.2x 10^-3, and Ka2 = 3.9 x 10^-6. E5: Acid Dissociation Constants of Organics Last updated; Save as PDF Page ID 6647; … E5: Acid Dissociation Constants of Organics Last updated; Save as PDF Page ID 6647; Contributors and Attributions; The following table provides pK a and K a values for selected weak acids. The POPs regulatory processes identified for the Brief Profile are: Classification, Labelling and Packaging (CLP)The CLP Regulation (1272/2008) entered into force on 20 January 2009. Half-life for hydrolysis provides substance information on the substance’s half-life for hydrolysis in seconds/minutes/hours/days/weeks/months/years at a temperature measured in °C.Note: Results without a measurement condition (temperature) are not processed for the Brief Profile. It forms white powder, colorless crystals, a colorless solution, and an ionic solid that is the monopotassium salt of phthalic acid. Data is generally standardised and displayed in milligram per litre/cubic metre. Since a two dimensional chemical structure can be drawn in various ways, there are several correct SMILES notations for one molecule. In IUPAC nomenclature, prefixes, suffixes and infixes are used to describe the type and position of functional groups in the substance. The BPR addresses the placing on the market and use of biocidal products, which are used to protect humans, animals, materials or articles against harmful organisms, like pests or bacteria, by regulating the active substances contained in a biocidal product. The ’Substance description’ gives an overview of the main substance identifiers, substance classification, on-going regulatory activities, main uses of the substance and which registrants manufacture and/or import the substance. Registrants can register their substance explosiveness as: This section summarises the oxidising values from all registered dossiers for the substance. The bars indicate the number of matching classifications, i.e. 1.2), Fire and minor blast and/or projection hazard, but not a mass explosion hazard (Div. More detailed information is available in the dossiers. Release to the environment of this substance can occur from industrial use: formulation of mixtures. The Agency thus cannot guarantee the correctness of the information displayed. PNEC STP, data displayed in milligram per litre. Biodegradation in water - screening tests, Biodegradation in water & sediment - simulation tests. EC10 / LC10 or NOEC for marine sediment provides substance information on the substance’s effect concentration/lethal concentration for 10% of the model organisms feeding off the marine sediment or the no observed effect concentration for of the model organisms feeding off the marine sediment. Phys. EC10 / LC10 or NOEC for microorganisms provides substance information on the substance’s effect concentration/lethal concentration for 10% of the tested microorganisms or the no observed effect concentration for microorganisms. Water solubility provides substance information on the substance’s solubility in water in grams per litre at a temperature measured in °C. If more than one DNEL/DMEL is available the most conservative (i.e. Trade names gives all public trade names submitted to ECHA in REACH registrations. Registrants can choose from the following picklist endpoint conclusions/effect levels: This section displays the values related to sensitisation from all registered dossiers for the substance. This chemical is sensitive to exposure to extreme heat. The Agency thus cannot guarantee the correctness of the information displayed. If so, the data provided is not processed for the Brief Profile. ThOD provides substance information on the substance’s ThOD values displayed in O2 (milli)gram per gram test material. 2005 Jun 1;210(2-3):223-33. Welcome to the ECHA website. The availability of additional data beyond the five results displayed is indicated by (…).Processable data is prioritised by the toxicity descriptor type (see list below) and subsequently further prioritised by duration (longer prioritised over shorter). This section summarises the values related to toxicity to aquatic algae and cyanobacteria from all registered dossiers for the substance. Critical property indentification: Where less than 90% of the notifiers provide the same classification to derive the critical property, the border of this critical property icon is displayed as dashed. Epub 2003 Oct 25. The light blue bar illustrates the percentage of matching substance classifications provided by manufacturers and importers in CLP notifications. [, Scippo ML, Argiris C, Van De Weerdt C, Muller M, Willemsen P, Martial J, Maghuin-Rogister G: Recombinant human estrogen, androgen and progesterone receptors for detection of potential endocrine disruptors. Displayed are the RANGES of min – max of the PRIORITISED value(s) within the five highest priority groupings of provided data. Phthalic acid is used mainly in the form of the anhydride to produce other chemicals such as dyes, perfumes, saccharin, phthalates and many other useful products. This section summarises the values related to toxicity to soil macroorganisms (except arthropods) from all registered dossiers for the substance. Michael Diamantoglou, Gerhard Meyer, "Process for the production of water-insoluble fibers of cellulose monoesters of maleic acid, succinic acid and phthalic acid, having an extremely high absorbability for water and physiological liquids." Phototransformation in soil provides substance information on the substance’s phototransformation in soil in seconds/minutes/hours/days/weeks/months/years. This section provides information on the recommended measures to minimise or prevent adverse effects resulting from exposure to a hazardous product, or improper storage or handling of a hazardous product. This substance is used for the manufacture of: textile, leather or fur. This section displays all the public names and other identifiers available in ECHA's databases for the substance. Epub 2003 Apr 30. Processable data for summary is prioritised by test species (see list below) and subsequently further prioritised by the dose descriptor. ECHA maintains the C&L Inventory, but does not review or verify the accuracy of the information. Analytical Chemistry 1959 , 31 (8) , 1326-1331. Chem. We show that the method predicts the pK a value of benzoic acid in good agreement with experiment and then show using phthalic acid (benzene dicarboxylic acid) as a test system that both the first and second pK a values as well, as the subtle difference in their values for different isomers can be predicted in reasonable agreement with experimental data. This section summarises the values related to toxicity to mammals (other above-ground organisms) from all registered dossiers for the substance. Surface tension provides substance information on the surface tension in (milli)Newton per metre in a concentration in (milli)gram per metre and at a temperature measured in °C. The information provided in the free-text fields is not published in the Brief Profiles. phthalic acid has 2 Kas since it is diprotic.. Ka1 = 1.3 X 10^-3. Vestibulum tincidunt ultricies libero quis mollis. Phthalic acid esters (phthalates) have been used as industrial plasticizers in a wide range of consumer products. The following properties have been highlighted as critical: The substance properties displayed in this section (with the exception of PBT properties) are derived from harmonised classification and labelling (CLH) and/or REACH registered dossier information. Candidate List – indicates if the substance is included in the candidate list of substances of very high concern (SVHCs). The EC Inventory is a combination of three independent European lists of substances from the previous EU chemicals regulatory frameworks (EINECS, ELINCS and the NLP-list). This section provides environmental fate and pathways information compiled from all registered dossiers for the substance. Which determines its two degrees of dissociation Kg 1 and Kg 2.Analytical measured values, dissociation constants measured … To have more information on impurities relevant to classification you can consult the C&L Inventory entry for the substance, or the disseminated registration dossier. Pour density provides substance information on the pour density in grams per millilitre at a temperature measured in °C. It may, for example, originate from the starting materials or be the result of secondary or incomplete reactions during the production process. Phthalic acid esters (phthalates) have been used as industrial plasticizers in a wide range of consumer products. Manufacturers and importers can provide the following information in the registration dossier: Hazard for Air provides information on the substance’s hazard assessment conclusion related to air. Estimating successive pK a values of polyprotic acids from ab initio molecular dynamics using metadynamics: the dissociation of phthalic acid and its isomers A. K. Tummanapelli and S. Vasudevan, Phys. Note: Registrants can also select ‘other’ as the unit of measure for pressure. Bulk density provides substance information on the bulk density in (kilo)grams per (centi)metre (cm/m) at a temperature measured in °C. If more than one numerical result is available per endpoint, the range of results (min-max, RANGE method) will be displayed. The Predicted No-Effect Concentration (PNEC) value is the concentration of a substance below which adverse effects in the environment are not expected to occur. The Restriction list describes the conditions for the manufacture, placing on the market or use of certain substances, either on their own or in mixtures or articles. The Brief Profile summarises the non-confidential data on substances as it is held in the databases of the European Chemical Agency (ECHA), including data provided by third parties. EC/LC50 for freshwater sediment provides substance information on the substance’s effect concentration or lethal concentration for 50% of the model organisms feeding off the freshwater sediment, generally displayed in milligrams per kilogram sediment (dry weight). See information under ‘Applicant’s summary and conclusion – interpretation of results (oral)’. Registrants can choose the same picklist endpoint conclusions as mentioned under ‘Skin sensitisation’. Release to the environment of this substance can occur from industrial use: in processing aids at industrial sites and as processing aid. EC10 / LC10 or NOEC for marine fish provides substance information on the substance’s effect concentration/lethal concentration for 10% of the tested freshwater fish or the no observed effect concentration. Molecular structure displayed in this section is based on InChI annotation from IUCLID reference substances database and stored in the ECHA database. Long-term EC10 or LC10 or NOEC for soil dwelling arthropods provides substance information on the substance’s effect concentration or lethal concentration (long term) for 10% of the soil dwelling arthropods in the test, or the no observed effect concentration for soil dwelling arthropods. there is no manual verification or assessment of the correctness of the data. All data remain the property of its respective owners.Note that the brief profile is an automatically generated summary and that not all available data may be displayed. Impurities or additives: When a specific critical property is associated with compositions with impurities and/or additives, the respective critical property icon has a * associated. The basis of SMILES is the representation of a valence model of a molecule. If so, the data provided is not processed for the Brief Profile. Applicant’s summary and conclusion – Interpretation of results (dermal). 2003 Aug;306(2):703-8. Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH)The REACH Regulation (1907/2006) entered into force on 1 June 2007. LC50 for marine water fish provides substance information on the substance’s lethal concentration for 50% of the marine water fish in the test, displayed in milligram per litre. We show that the method predicts the pKa value of benzoic acid in good agreement with experiment and then show using phthalic acid (benzene dicarboxylic acid) as a test system that both the first and second pKa values as well, as the subtle difference in their values for different isomers can be predicted in reasonable agreement with experimental data. - Mechanism of Action & Protocol. Degradation rate constant (Ozone) provides substance information on the substance’s degradation rate constant with Ozone as a reaction type in cm3molecule-1s-1, cm3molecule-1d-1, m3molecule-1s-1 or m3molecule-1d-1. More detailed information is available in the dossiers. Registrants can choose from the following (picklist) conclusions: Displayed is the MOST CONSERVATIVE of the value(s) provided, ranking in the order as above. Substances may have impurities and additives that lead to different classifications. H atm m3/mol provides substance information on the substance’s Henry’s Law Constant in atm m3/mol at a temperature measured in °C and a pressure measured in Pascal. This Brief Profile is covered by the ECHA Legal Disclaimer. Buffer pKa and pH Range Values For preparation of . Data is generally standardised and displayed in milligram per litre or molar per litre. The information has not been reviewed or verified by ECHA or any other authority. PIC administers the import and export of certain hazardous chemicals and places obligations on companies who wish to export these chemicals to non-EU countries. If such information is available in ECHA’s database and is it not claimed confidential, the molecular formula and molecular structure will be displayed here. Values are generally displayed in milligram per kilo soil (dry weight). LC50 for freshwater invertebrates provides substance information on the substance’s lethal concentration for 50% of the freshwater invertebrates in the test, displayed in milligram per litre. 4409-98-7. If so, the data provided is not processed for the Brief Profile. Kd provides substance information on the substance’s Koc adsorption at a temperature measured in °C and a percentage of organic carbon. Registrants can choose from the following picklist endpoint conclusions: Inhalation route provides substance information on the substance’s acute toxicity via the inhalation route. Potassium Tartrate – C 4 H 4 K 2 O 6. Hazard to aquatic organisms provides information on the substance’s hazard assessment conclusion regarding aquatic organisms. Nulla pulvinar vitae nunc vitae sagittis. Long-term EC10 or LC10 or NOEC for soil microorganisms provides substance information on the substance’s effect concentration or lethal concentration (long term) for 10% of the soil microorganisms in the test, or the no observed effect concentration for soil microorganisms. BOD5*100/COD provides substance information on the substance’s BOD5*100/COD values displayed in O2 (milli)gram per gram test material. Potassium phthalate. Therefore this does not constitute official and legally binding information. the electronic edition of the Official Journal of the European Union.This Brief Profile is covered by the ECHA Legal Notice. Registration – indicated if there is at least one dossier registered and disseminated for the substance, how many non-confidential registrations are active and/or inactive and the type of submissions (joint and/or individual). Buffers in the pH . Active substance approval – indicates if the substance is an approved biocidal active substance. Displayed are the RANGES of min – max of the PRIORITISED value(s) within the five highest priority groupings of provided data. Vivamus mauris lorem, fringilla at diam a, laoreet consequat eros. Displayed are the RANGES of min – max of the PRIORITISED value(s) within the five highest priority groupings of provided data. Furthermore, updates in the source data may not always result in an update of the Brief Profile. PNEC sediment, data displayed in milligram per kilo sediment (dry weight). Melting / freezing point provides substance information on the melting/freezing point in °C at a pressure measured in Pa. SMILES is the acronym for Simplified Molecular Input Line Entry Specification, a chemical notation system used to represent a molecular structure by a linear string of symbols. Values are generally displayed in milligrams per kilogram (dry weight). The regulation aims improve the protection of human health and the environment from the risks that can be posed by chemicals, while enhancing the competitiveness of the EU chemical industry. EC50/LC50 for marine water plants provides substance information on the substance’s effect concentration or lethal concentration for 50% of the marine water algae in the test, generally displayed in milligram per litre. Units and data are normalised when possible and therefore the unit of measure/order of magnitude in the Brief Profile data may not correspond exactly to the one in the registered dossier. The total number of non-confidential registered compositions submitted in REACH dossiers are displayed here. EC10 / LC10 or NOEC for freshwater invertebrates provides substance information on the substance’s effect concentration/lethal concentration for 10% of the tested freshwater invertebrates or the no observed effect concentration for freshwater invertebrates. This section summarises the values related to toxicity to sediment toxicity from all registered dossiers for the substance. Translated names gives the names in different EU languages, where available to ECHA. Registrants can choose from the following picklist endpoint conclusions: If an adverse effect is observed, data can be provided as LD 50 or discriminating concentration, displayed here in milligram per cubic metre. Note: Registrants can also select ‘other’ as the type of Henry’s law constant. Applicant’s summary and conclusion – Interpretation of results provides information on the substance’s biodegradation properties in water and can be registered by the registrants by one or more of the following picklist options: Note: Registrants can also select ‘other’ as picklist option for describing the biodegradation values of the substance in water. This substance is used in the following products: pH regulators and water treatment products and leather treatment products. All the source data on which the summaries on this page are based, is provided by industry and stored in the ECHA databases. U.S. Patent US4734239, issued April, 1941. Data is generally displayed in milligrams per kilogram, per bodyweight per day. An icon is displayed to indicate the type of aggregation and summarisation performed: The precise data summarisation methods are specified per endpoint summary/study. For other data an order of magnitude logic might apply; e.g. organic acids – sorted by formula (b) Explain why the pKa for loss of the second proton (pKa2) is higher for phthalic acid than isophthalic acid. The BPR regulatory processes identified for the Brief Profile are: Prior Informed Consent (PIC)The PIC Regulation (649/2012) entered into force on 4 July 2014. ( i.e terrestrial bioaccumulative properties not taking account the dimensions sources, e.g only meant as visual to. Except: ‘ see summary inhalation systemic Effects ’, ‘ BMC ’,:! 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In water in grams per litre labelling corresponds to each Index number for each substance is classified under than! Clp regulatory processes and lists amendment to the environment acid with sodium amalgam in the list! Acid – C. 8 H 6 O 6: note: Registrants can also select ‘ other ’ as dose... Measurement condition ( temperature ) are not processed for the substance is subject to environment! Help communicate information about classification and labelling can what is the pka of phthalic acid synthesized from the substance multiple! A percentage of organic carbon... phthalic acid prepared from the widely available phthalic anhydride related. Dissociation constant and pKa are given below the figures, together with the same value, is... ( 5 ) 8 ( 11 ) 12/h1-4H, ( H,9,10 ) ( )... Constants of organic carbon ; information requirements under different legislative frameworks may, for,... 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