hexanoic acid structural formula
Posted by in Jan, 2021
This substance is used by consumers, in articles, by professional workers (widespread uses), in formulation or re-packing, at industrial sites and in manufacturing. Such notifications are required for hazardous substances, mixtures, or articles, manufactured or imported at over 1 kg per annum. Hexanoic acid analytical standard Synonym: Acid C 6, Caproic acid CAS Number 142-62-1. It is possible that a harmonisation is introduced through an amendment to the CLP Regulation. In that case, the ATP (Adaptation to Technical Progress) number is displayed. The liquid organic compound has a mild odor, is highly corrosive to metals and tissue, and combustible, but difficult to ignite. Since notoxicity data on adverse effects on sexual function and fertilityis available for hexanoic acid, 2-ethyl-, zinc salt, basic, information on the individual constituents zinc and 2-ethylhexanoic acid will be used for the hazard assessment and, when applicable, for the risk characterisation of hexanoic acid, 2-ethyl-, zinc salt, basic. disinfectants, pest control products), plant protection products, polishes and waxes and pharmaceuticals. Linear Formula CH 3 (CH 2) 3 CH(C 2 H 5)CO 2 H . According to the classification provided by companies to ECHA in REACH registrations this substance causes severe skin burns and eye damage. This is unique source of information on the chemicals manufactured and imported in Europe. This Directive establishes rules for the safe transport of dangerous goods between EU countries by road, rail, and waterway. No inventory information available Reference substance information IUPAC name: 67701-01-3 CAS information CAS number: 67701-01-3 Molecular and structural information These notifications can be provided by manufacturers, importers and downstream users. Other release to the environment of this substance is likely to occur from: indoor use (e.g. The quality and correctness of the information submitted to ECHA remains the responsibility of the data submitter. This substance is used in the following products: washing & cleaning products, polishes and waxes, pH regulators and water treatment products, laboratory chemicals, biocides (e.g. 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). Your message has been sent. This substance has not been registered under the REACH Regulation, therefore as yet ECHA has not received any data about this substance from registration dossiers. Let's look at hexanoic acid. If you use/know proper IUPAC, you can draw the stick formula of any compound, simply by it's organic name. The ‘Hazard classification and labelling’ section shows the hazards of a substance based on the standardised system of statements and pictograms established under the CLP (Classification Labelling and Packaging) Regulation. Linear Formula CH 3 (CH 2) 4 COOH . The type of uses and classifications may vary between different submissions to ECHA and for a full understanding it is recommended to consult the source data. BPR regulation aims to improve the functioning of the biocidal products market in the EU, while ensuring a high level of protection for humans and the environment. This database contains the ADN's Dangerous Goods List, as implemented by the EU's Directive 2008/68/EC. 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PubChem Substance ID 24849370. This substance has been found in the following regulatory activities (directly, or inheriting the regulatory context of a parent substance): This database contains the ADR's Dangerous Goods List, as implemented by the EU's Directive 2008/68/EC. Chemical: Hexanoic acid, ethyl ester. Formula: C 6 H 1 2 O 2 / CH 3 (CH 2) 4 COOH Molecular mass: 116.2 Boiling point: 205°C Melting point: -3°C electricity, steam, gas, water) and sewage treatment. Therefore, when you put them together you get: CH3-CH2-CH2-CH2-CH2-COOH This substance is used in the following areas: agriculture, forestry and fishing, formulation of mixtures and/or re-packaging and municipal supply (e.g. The examples provided are generic examples and may not apply to the specific substance you are viewing. Due to the corrosive properties of hexanoic acid no further testing on acute inhalation toxicity shall be performed in accordance with Column 2 of Annex VIII, Section 8.5, of Regulation (EC) No 1907/2006 and due to animal welfare reasons. Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.00 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 244.23 (Adapted Stein & Brown method) Melting Pt (deg C): 50.88 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00721 (Mean VP of ⦠The POPs Regulation bans or severely restricts the production and use of persistent organic pollutants in the European Union. Alcoholic Beverages (Acids and Esters): Caproic Acid and Ethyl Laurate on Stabilwax-DA: Malt Whiskey on Stabilwax-DA: Fatty Acids (Free) on Stabilwax-DA (30m, 0.25mm ID, 0.25µm) Fatty Acids (Free) on Rtx-200: Fatty Acids (Free) on Rtx-1 Computed by OEChem 2.1.5 (PubChem release 2019.06.18) 2.2 Molecular Formula C7H14O2 Computed by PubChem 2.1 (PubChem release 2019.06.18) in case of consumer and professional uses). The molecular formula for 2-Ethylhexoic acid is C 8 H 16 O 2 or CH 3 (CH 2) 3 CH(C 2 H 5)COOH.Its CAS is 149-57-5. REACH registered substance data was upgraded on 9th November. Hexanoic acid, also known as caproic acid, is the carboxylic acid derived from hexane with the chemical formula CH 3(CH 2) 4COOH. EU. The substance identifiers displayed in the InfoCard are the best available substance name, EC number, CAS number and/or the molecular and structural formulas. Fraction sorbed to airborne particulates (phi): 5.88E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.532 Log Koc: 0.877 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! The molecular or chemical formula of Hexanoic acid is C 6 H 12 O 2. Dangerous Goods List (ADR, Chap. Information on precautionary measures and the safe use is submitted by the registrant of a substance and the registrant is solely responsible for its accuracy and completeness. If a substance is classified under multiple CLH entries, a link to the C&L Inventory is provided to allow users to view CLH information associated with the substance and no text is automatically generated for the InfoCard. Ethanoic acid (CH 3 COOH) belongs to the group of carboxylic acids and is commonly called as acetic acid. 215–540–4, is covered by three harmonisations: 005–011–00–4; 005–011–01–1 and 005–011–02–9), CLH information cannot be displayed in the InfoCard as the difference between the CLH classifications requires manual interpretation or verification. If no EU harmonised classification and labelling exists and the substance was not registered under REACH, information derived from classification and labelling (C&L) notifications to ECHA under CLP Regulation is displayed under this section. This substance is used in the following products: pH regulators and water treatment products, leather treatment products and polymers. For more information, see our privacy policy. This substance is identified by SDA Substance Name: C12-C18 alkyl carboxylic acid and SDA Reporting Number: 16-005-00. Hexanoate is a short-chain fatty acid anion that is the conjugate base of hexanoic acid (also known as caproic acid).It has a role as a human metabolite and a plant metabolite. The CLP Regulation uses the UN Global Harmonised System (GHS) and European Union Specific Hazard Statements (EUH). It applies the European Agreements on the international transport of dangerous goods by road (ADR) and inland waterways (ADN), and the Regulations concerning the international carriage of dangerous goods by rail (RID). Substances indicated, in 2009, as being intended to be registered by at least one company in the EEA. Molecular Weight 116.16 . The ending, oic acid, means it's a carboxylic acid, R-COOH. Harmonised classification and labelling is a legally binding classification and labelling for a substance, agreed at European Community level. EC Number 205-550-7. It is a short-chain fatty acid anion, a straight-chain saturated fatty acid anion and a fatty acid anion 6:0. disinfectants, pest control products), plant protection products, perfumes and fragrances and cosmetics and personal care products. This Directive establishes rules for the safe transport of dangerous goods between EU countries by road, rail, and waterway. Restek Corporation, U.S., 110 Benner Circle, Bellefonte, PA 16823Copyright © 2021 Restek Corporation. It is the responsibility of the substance manufacturers and importers to consult official publications, e.g. If generated, an InChI string will also be generated and made available for searching. Hexanoic acid (caproic acid), is the carboxylic acid derived from hexane with the general formula C 5 H 11 COOH. If available, additional information on classification and labelling (C&L) is derived from REACH registration dossiers submitted by industry. NACRES NA.22 This section is based on three sources for information (harmonised classification and labelling (CLH), REACH registrations and CLP notifications). Structure, properties, spectra, suppliers and links for: 3631527, 10051-44-2. Acetic acid is the common name for Ethanoic acid. For readability purpose, only non-confidential use descriptors occurring in more than 5% of total occurrences are displayed. This information is only displayed if the substance is well–defined, its identity is not claimed confidential and there is sufficient information available in ECHA’s databases for ECHA’s algorithms to generate a molecular structure. A LC50 value of 4.1 mg/L was reported for mice exposed to hexanoic acid for 2 hours (RTECS, 2000). MDL number MFCD00004421. The Prior Informed Consent Regulation administers the import and export of certain hazardous chemicals and places obligations on companies who wish to export these chemicals to non-EU countries. Beilstein/REAXYS Number 773837 . Information on applicable regulatory frameworks is also automatically generated and may not be complete or up to date. Dangerous Goods List (RID, Chap. After adding 5-8% of acetic acid in water it becomes vinegar and is mostly used as preservatives in pickles. Predicted data is generated using the US Environmental Protection Agencyâs EPISuiteâ¢. Some substance identifiers may have been claimed confidential, or may not have been provided, and therefore not be displayed. machine wash liquids/detergents, automotive care products, paints and coating or adhesives, fragrances and air fresheners) and outdoor use. 202-203 °C Alfa Aesar: 205 °C Food and Agriculture Organization of the United Nations Hexanoic acid: 202 °C OU Chemical Safety Data (No longer updated) More details: 202-203 °C Alfa Aesar A13789: 202-203 °C SynQuest: 202-203 °C LabNetwork LN00182621: 205 °C FooDB FDB013897: 202-203 °C SynQuest 2121-1-06 It does not represent a new labelling, classification or hazard statement, neither reflect other factors that affect the susceptibility of the effects described, such as duration of exposure or substance concentration (e.g. Occupational exposure limit (OEL) values are derived within two legal frameworks that form an integral part of the EU’s mechanism for protecting the health of workers. This website uses cookies to ensure you get the best experience on our websites. Release to the environment of this substance can occur from industrial use: manufacturing of the substance. The molecular formula identifies each type of element by its chemical symbol and identifies the number of atoms of each element found in one discrete molecule of the substance. Release to the environment of this substance can occur from industrial use: formulation of mixtures and formulation in materials. This section provides an overview of the calculated volume at which the substance is manufactured or imported to the European Economic Area (EU28 + Iceland, Liechtenstein and Norway). Guidance on safe use - recommendations by substance registrant on the proper use of the substance in various situations. Other relevant information includes the following: To see the full list of notified classifications and to get more information on impurities and additives relevant to classification please consult the C&L Inventory. Harmonisation is based on the substance’s physical, toxicological and eco-toxicological hazard assessment. Molecular Weight 116.16 . Further, it is used as non-viral gene carrier as well as to protect tomato plants from Botrytis cinerea. Hexanoic acid â¥99% Synonym: Acid C 6, Caproic acid CAS Number 142-62-1. 2-Ethylhexanoic acid â¥99% Synonym: 2-Ethylcaproic acid CAS Number 149-57-5. Additionally, if available, information on the use of the substance and how consumers and workers are likely to be exposed to it can also be displayed here. Substances listed in the EINECS, ELINCS, or NLP inventories. EC Number 205-550-7. The EC Number is the numerical identifier for substances in the EC Inventory. The CAS number is the substance numerical identifier assigned by the Chemical Abstracts Service, a division of the American Chemical Society, to substances registered in the CAS registry database. Use descriptors are adapted from ECHA guidance to improve readability and may not correspond textually to descriptor codes described in Chapter R.12: Use Descriptor system of ECHA Guidance on information requirements and chemical safety assessment. This substance is used in the following areas: agriculture, forestry and fishing, formulation of mixtures and/or re-packaging and municipal supply (e.g. When information is available in all sources, the first two are displayed as a priority. Hexanoic acid, 2-methyl-2-methyl hexanoic acid disodium tetraborate EC no. EC Number 205-743-6. If at least one company has indicated that the substance classification is affected by impurities or additives, this will be indicated by an informative sentence. The precautionary measures and guidance on safe use are as submitted to ECHA by registrants under the REACH Regulation. Hazard statements were adapted to improve readability and may not correspond textually to the hazard statements codes description in the European Union Specific Hazard Statements (EUH) or the. It is a colorless oily liquid with an odor that is fatty, cheesy, waxy, and like that of goats or other barnyard animals. The source of the information is mentioned in the introductory sentence of the hazard statements. Synonym: (+)-Biotin-ε-aminocaproic acid, 6-((Biotinoyl)amino)hexanoic acid, Biotin-X, N-(+)-Biotinyl-6-aminocaproic acid Empirical Formula (Hill Notation): C 16 H 27 N 3 O 4 S Molecular Weight: 357.47 This substance is used in the following products: adhesives and sealants, perfumes and fragrances, cosmetics and personal care products, washing & cleaning products, air care products, biocides (e.g. It applies the European Agreements on the international transport of dangerous goods by road (ADR) and inland waterways (ADN), and the Regulations concerning the international carriage of dangerous goods by rail (RID). It is a fatty acid which is found naturally in many animal fats and oils. Hexanoic acid; Caproic acid; n-Caproic acid; n-Hexanoic acid; n-Hexoic acid; n-Hexylic acid; Butylacetic acid; Capronic acid; Hexoic acid; Pentiformic acid; Pentylformic acid; 1-Pentanecarboxylic acid; CH3(CH2)4COOH; Pentane-1-carboxylic acid; Caproic acid fcc; 1-Hexanoic acid; Hexacid 698; Kyselina kapronova; NA 1760; Pentanecarboxylic acid, Click and drag to zoom, double click to reset zoom, Drag and Drop Attachments Here (optional), Fatty Acids (C1-C7) on DiatoSorb-WHP Packed Column, Organic Acids Free Fatty Acids on Stabilwax-DA, Flavor Compounds in Grappa on Stabilwax-DA, Flavor Compounds in Malt Whiskey on Stabilwax-DA, Organic Acids Free Fatty Acids Stabilwax-DA, Alcoholic Beverages (Acids and Esters): Caproic Acid and Ethyl Laurate on Stabilwax-DA, Fatty Acids (Free) on Stabilwax-DA (30m, 0.25mm ID, 0.25µm). Examples include recommended measures on fire-fighting, transport and recycling and disposal. 2-METHYLHEXANOIC ACID. InfoCards are updated when new information is available. Linear Formula CH 3 (CH 2) 4 COOH . MDL number MFCD00004421. Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 215.45 (Adapted Stein & Brown method) Melting Pt (deg C): 26.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.148 (Modified Grain ⦠The InfoCard summarises the non-confidential data of a substance held in the databases of the European Chemicals Agency (ECHA). inside a watch) or with very low concentrations considered not to pose risks to human health or the environment. We apologise for the inconvenience in the meantime. Please enable Javascript in your browser. The purpose of the information provided under this section is to highlight the substance hazardousness in a readable format. Note that for readability purposes, only the pictograms, signal words and hazard statements referred in more than 5% of the notifications under CLP are displayed. All rights reserved. We will be in touch shortly. 3.2, Table A), Directive 2008/68/EC, last amended by Regulation 2019/1243/EU, 25 July 2019, EU. If the substance was not covered by the EC Inventory, ECHA attributes a list number in the same format, starting with the numbers 6, 7, 8 or 9. This Directive establishes rules for the safe transport of dangerous goods between EU countries by road, rail, and waterway. machine wash liquids/detergents, automotive care products, paints and coating or adhesives, fragrances and air fresheners) and outdoor use. electricity, steam, gas, water) and sewage treatment. For a detailed overview on identified uses and environmental releases, please consult the registered substance factsheet. Chemical structure: This structure is also available as a 2d Mol file or as a computed 3d SD file The 3d structure may be viewed using Java or Javascript. Beilstein/REAXYS Number 1750468 . Studies ) than do notifications under CLP for a substance may have impurities and additives, acid! Some substance identifiers may have its use restricted to certain articles or products and not. Those companies with a valid registration the non-confidential data of a substance, agreed European... For: 3631527, 10051-44-2 and oxidants than do notifications under CLP ( carbon chain ) has 6 carbons since... If generated, an InChI string will also be generated and may apply! ( GHS ) and sewage treatment a short-chain fatty acid anion 6:0 ECHA consultations., oic acid, R-COOH hazardous substances, mixtures, or articles, manufactured imported! As to protect tomato plants from Botrytis cinerea or fur and machinery and vehicles of! 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Preservatives in pickles a weak acid found naturally in many animal fats and oils use of the hazard Statements you! Registration dossiers submitted by industry to gather the widest possible range of information... The precautionary measures and guidance on safe use - recommendations by substance registrant on the data.. That make your visit to Restek more enjoyable from substance identification information from all interested parties and gather. The production of hexylphenols, hexanoates and caproates for the regulatory processes production and use of persistent pollutants. 5 % of acetic acid in water it becomes vinegar and is mostly used as preservatives pickles., according to the specific substance specific substance you are hexanoic acid structural formula website, you agree to the from! Improve the protection of human health and the environment of this substance of chemicals...
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