No. ammonium adipate. It is prohibited that you use any information of SDBS for profit-making or commercial use without obtaining proper permission from us. Cyclohexanone (also known as oxocyclohexane, pimelic ketone, ketohexamethylene, cyclohexyl ketone or ketocyclohexane) is a six-carbon cyclic molecule with a ketone functional group.It is a colorless, oily liquid with an acetone-like smell. The conversion of cyclohexane and selectivity of products were calculated using the following formulas (Eqs. ... New data were updated. 153 °C TCI A0161: 151-155 °C Alfa Aesar: 151-154 °C Indofine [15-0600] , [15-0600] : 152 °C OU Chemical Safety Data (No longer updated) More details: 150-154 °C Merck Millipore 2849, 818650: 152 °C Jean-Claude Bradley Open Melting Point Dataset 15578: 153.2 °C Jean-Claude Bradley Open Melting Point Dataset 22499: 153 °C Jean-Claude Bradley Open Melting Point Dataset 13894, 6339 4.5 Skin, Eye, and Respiratory Irritations. Deuteration shifts and polarization measurements are used to assign nineteen absorption bands of adipic acid to infrared active fundamental modes. Secondary ChEBI IDs to the dried substance) Adipic acid, puriss., 99.8% Adipic acid, SAJ special grade, >=99.5% Adipic acid, United States Pharmacopeia (USP) Reference Standard Adipic acid, Vetec(TM) reagent grade, >=99% adipicacid Adipinate Adipinic acid Adipinsaeure Adipinsaure Adipinsaure [German] Adi-pure AI3-03700 AKOS000119031 ANW-18185 BBL011615 BIDD:ER0342 bmse000424 BP-21150 BP-30248 BRN 1209788 butane-1,4-dicarboxylic acid C06104 C6-140-polymorph-I C6-180-polymorph-I C6-220-polymorph-I C6-260-polymorph-I C6-298-polymorph-I CAS-124-04-9 CCG-230896 CCRIS 812 CHEBI:30832 CHEMBL1157 CS-W018238 CTK0H6372 D08839 DSSTox_CID_1605 DSSTox_GSID_21605 DSSTox_RID_76232 DTXSID7021605 E 355 E355 E-355 EC 204-673-3 EINECS 204-673-3 F0001-0377 FEMA No. Go To: Top, References, Notes Data compilation copyrightby the U.S. Secretary of Commerce on behalf of the U.S.A.All rights reserved. conditions, 18-22 degrees CThe Koc of adipic acid is estimated as approximately 26, using a measured log Kow of 0.08 and a regression-derived equation. NMR-STAR file: bmse000424.str NMR-STAR interactive viewer Mol file: bmse000424.mol All files for bmse000424 Time Domain Data: bmse000424.zip. Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan. Safety Data Sheet according to 29CFR1910/1200 and GHS Rev. All Rights Reserved. 5 Related Records Expand this section. The pK a values for their successive deprotonations are 4.41 and 5.41. It is one of the most important monomers in the polymer industry. Safety Data Sheet according to 29CFR1910/1200 and GHS Rev. System maintenance on September 21, JST. P337+P313 If eye irritation persists: Get medical advice/attention. 1.3.1. Adipic Acids as Quality Control of Cyclohexanone Production . 9 kcal/mole in fair agreement with the values derived from conventional methods. Data compiled by: Coblentz Society, Inc. Compound with free spectra: 32 NMR, 13 FTIR, 4 Raman, and 11 MS, 1,4-Butane-dicarboxylic acid; Adipic acid; Hexane-1,6-dioic acid; Hexanedioic acid, InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10). Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. 3-methyladipic acid is an alpha,omega-dicarboxylic acid that is adipic acid substituted with a methyl group at position C-3. 5 Related Records Expand this section. Adipic acid is one of the most commercially important type of aliphatic dicarboxylic acids, especially due to its significant usage as a feedstock for the production of industrial fibers. Ethanoic acid has the structure: You will see that it contains the following bonds: carbon-oxygen double, C=O. Adipic acid CAS 124-04-9 WIKI information includes physical and chemical properties, USES, security data, NMR spectroscopy, computational chemical data and more. 57, # 10 pt 2 p. 2138 - 2142, Journal of applied chemistry of the USSR, , vol. Stars This entity has been manually annotated by the ChEBI Team. Copyright © 2002-2020 Wiley-VCH Verlag GmbH & Co. KGaA. Adipic acid is found in beet juice, but the article of commerce—≈2.5 million tonnes of it per year—is manufactured. SpectraBase Compound ID=BnVRPXAZUid, Search your unknown spectrum against the world’s largest collection of reference spectra, ChemWindow structure drawing, spectral analysis, and more, Offers every student and faculty member unlimited access to millions of spectra and advanced software. 57, # 10 pt 2 p. 2138 - 2142, Organic intermediates Adipic Acid Hexanedioic acid CAS 124-04-9. Copyright © 1980, 1981-2020 John Wiley & Sons, Inc. All Rights Reserved. Copyright © 2018-2020 Sigma-Aldrich Co. LLC. It derives from an adipic acid . However we request visitors to our database not to download more than 50 spectra and/or compound information in one day. View the GISSMO record for this entry. Adipic acid is a basic chemical but is also used in consumer products. Adipic acid View entire compound with free spectra: 32 NMR, 13 FTIR, 4 Raman, and 11 MS. ... Safety Data: Risks and Safety Phrases= IRRITANT; EMITS ACRID SMOKE AND FUMES WHEN HEATED TO DECOMPOSITION: Synonyms: HEXANEDIOIC ACID 1,4-BUTANEDICARBOXYLIC ACID ADIPINIC ACID: Technique: KBr WAFER: Use: By means of combined HPLC-UV, GC/MS, LC/MS/MS, and NMR spectroscopy, the two major compounds detected in the aqueous extracts of the representative commercial overwraps were identified as cyclic oligomers with molecular weights of 452 and 472 and are possibly formed from poly-condensation of the adhesive components, namely, isophthalic acid, adipic acid, and diethylene glycol. hexanedioic acid. Spectrum Chemical offers over 300 Food Grade (FCC) chemical ingredients packaged in laboratory size bottles to production, Adipic Acid Dihydrazide, also known as ADH or Adipohydrazide, can be used as a hardener for epoxy resins and for cross-linking water-based emulsions. John Wiley & Sons, Inc. SpectraBase; Pergamon Press Ltd. It occurs relatively rarely in nature. 00124-04-9) is also known as 1,4-butanedicarboxylic acid or hexane-dioic acid. Adipic Acid, FCC is used as a food ingredient as a flavorant and gelling aid and as an acidulant in baking powders. Compound Adipic acidwith free spectra: 32 NMR, 13 FTIR, 4 Raman, and 11 MS. SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. The bands observed in these compounds between 1180 and 1400 cm −1 probably arise from mixed B u fundamentals involving carboxyl deformation, CH 2 wagging and CC stretching. Access to this database is free of charge. Ethanoic acid. , , ). It is used mainly in the production of nylon. 3-methyladipic acid is an alpha,omega-dicarboxylic acid that is adipic acid substituted with a methyl group at position C-3. Adipic acid CAS 124-04-9 WIKI information includes physical and chemical properties, USES, security data, NMR spectroscopy, computational chemical data and more. Adipic acid was obtained from Sigma−Aldrich (purity ≥99.5%) and used as received. Use this link for bookmarking this species for future reference. 4 Spectral Information Expand this section. Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Mark E. Anderson, John L. Markley. Cyclohexanone is the key intermediate for the production of adipic acid, an important compound for the synthesis of nylon 66. Alternatively, adipic acid can also be produced from butadiene carbonylation. The IR spectral data for the free linkers (terephthalic acid and adipic acid) and the synthesized MOF materials (see Supplementary Information, Figs. Service Tel: +86-571-87759741, Marketing Tel: +86-571-89739798 skype, Copyright©2010-2021 Guidechem 浙B2-20090288-37, Classification of the substance or mixture, GHS label elements, including precautionary statements, Other hazards which do not result in classification, ESR : TI(III) COMPLEX IN C6H6/C6H5(CH3), Q-BAND, 77K, ESR : TI(III) COMPLEX IN TOLUENE/BENZENE, HALF FIELD, ESR : TI(III) COMPLEX IN TOLUENE/BENZENE, S-BAND, ESR : TI(III) COMPLEX IN TOLUENE/BENZENE, X-BAND, SOLID (SPLIT MULL, FLUOROLUBE FOR 3800-1333 AND NUJOL FOR 1333-450 CM -1), Journal of the Chemical Society, , p. 1340,1342, Krestinina; Koshel'; Chabutkina; Antonova; Migachev Copyright © 1989, 1990-2020 Wiley-VCH Verlag GmbH & Co. KGaA. The following wastewater treatment technologies have been investigated for adipic acid: Biological treatment. INTRODUCTION . Go To: Top, References, Notes Data compiled by: Coblentz Society, Inc. With the carboxylate groups separated by four methylene groups, adipic acid is suited for intramolecular condensation reactions. [DID-no:2561] 0L1 1, 4-Butanedicarboxylic acid 1, 6-Hexanedioic Acid 1,4-butanedicarboxylic acid 1,6-Hexanedioate 1,6-Hexanedioic acid 1,6-HEXANE-DIOIC ACID 101-EP2269610A2 101-EP2269988A2 101-EP2270002A1 101-EP2270008A1 101-EP2270113A1 101-EP2272935A1 101-EP2275413A1 101-EP2275417A2 101-EP2277507A1 101-EP2277848A1 101-EP2281559A1 101-EP2284146A2 101-EP2284147A2 101-EP2284162A2 101-EP2284163A2 101-EP2284165A1 101-EP2286795A1 101-EP2287156A1 101-EP2289510A1 101-EP2289883A1 101-EP2292597A1 101-EP2292611A1 101-EP2292617A1 101-EP2295438A1 101-EP2298313A1 101-EP2301924A1 101-EP2301940A1 101-EP2305673A1 101-EP2308510A1 101-EP2308562A2 101-EP2308865A1 101-EP2308877A1 101-EP2311801A1 101-EP2311802A1 101-EP2311803A1 101-EP2311807A1 101-EP2311809A1 101-EP2311834A1 101-EP2314295A1 101-EP2314575A1 101-EP2316457A1 101-EP2316458A1 101-EP2316825A1 101-EP2316826A1 101-EP2316827A1 101-EP2316828A1 101-EP2371814A1 101-EP2374780A1 101-EP2374781A1 101-EP2374895A1 124-04-9 1F1316F2-7A32-4339-8C2A-8CAA84696C95 4-02-00-01956 (Beilstein Handbook Reference) 76A0JE0FKJ A0161 AB00988898-01 AB00988898-03 AC-10343 Acide adipique Acide adipique [French] Acifloctin Acinetten ACMC-1BBQS Adilactetten Adipate adipic acid Adipic acid (NF) Adipic acid [NF] adipic acid group Adipic acid, >=99% Adipic acid, >=99.5% Adipic acid, 99% Adipic acid, BioXtra, >=99.5% (HPLC) Adipic acid, certified reference material, TraceCERT(R) Adipic acid, European Pharmacopoeia (EP) Reference Standard Adipic acid, meets analytical specification of Ph.Eur., BP, E 355, 99.6-101.0% (calc. Copyright © 2009-2020 John Wiley & Sons, Inc. All Rights Reserved. Deuteration shifts and polarization measurements are used to assign nineteen absorption bands of adipic acid to infrared active fundamental modes. It is prohibited that you use any information of SDBS for profit-making or commercial use without obtaining proper permission from us. Welcome to Spectral Database for Organic Compounds, SDBS. Adipic acid is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration. 6 Chemical Vendors. 9 kcal/mole in fair agreement with the values derived from conventional methods. It is a conjugate acid of a 2-hydroxyadipate(2-). Adipic acid: Description: Adipic acid is an important inudstrial dicarboxylic acid with about 2.5 billion kilograms produced per year. All Rights Reserved. It has a tart taste and is also used as an additive and gelling agent in jello or gelatins. Carboxylic acids donate hydrogen ions if a base is present to accept them. The solubilities of adipic acid obtained from the modified Apelblat equation fitted well with the experimental data. The UV-Vis spectral analysis shows the absorption and transmis - sion of the crystal. The infrared spectra of a 1×10 −3 mol dm −3 aqueous adipic acid solution in contact with ZrO 2, Ta 2 O 5, and Al 2 O 3 all show Δν≈135 cm −1. Other names: Adipic acid dihydrazide; Adipyl hydrazide; Adipic acid dihyrazide; Hexanedioic acid, dihydrazide; 403; adipohydrazide Permanent link for this species. Radioactive adipic acid was fed to fasted experimental rats and the metabolic products identified in the urine were urea, glutamic acid, lactic acid, beta-ketoadipic acid, and citric acid.The presence of beta-ketoadipic acid provided some evidence that adipic acid is metabolized by beta-oxidation in much the same fashion as fatty acids. Cyclohexanone is the key intermediate for the production of adipic acid, an important compound for the synthesis of nylon 66. Water for several minutes for several minutes remove contact lenses, if present and easy to do first using! 99.9 % c/ CAS 124-04-9 spectral data of adipic acid produced from butadiene carbonylation acid crystal in polymer... It is a conjugate acid of a 3-methyladipate ( 2- ) and sebacic acids have been investigated for adipic,..., or related companies linear hydrogen-bonded chains of this compound and the deuterated analogues purity ≥99.5 % ) a. Ethanoic acid has a tart taste and is also used in consumer.... The production of adipic ( hexandioic ) acid to infrared active fundamental modes Data Sheet according to and. Shows the absorption and transmis - sion of the crystal important compound for the CO stretch and at... A waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration contains the following bonds carbon-oxygen... Groups separated by four methylene groups, adipic acid, an important for! P305+P351+P338 if in EYES: Rinse cautiously with water for several minutes compiled. Single crystals of adipic acid: ChEBI ID CHEBI:30832: Definition an α ω-dicarboxylic. Some countries have used plant capacity information as a human urinary metabolite have... Or related companies most important monomers in the region 60-4000 cm -1 were measured room. Cyclohexanol or cyclohexanone or a mixture of cyclohexanol or cyclohexanone or a mixture of cyclohexanol and with! Synthesis of nylon 66 are used to assign nineteen absorption bands of adipic ( hexandioic acid... 2017-2020 John Wiley & Sons, Inc. All Rights Reserved as 1,4-butanedicarboxylic acid or Hexanedioic acid CAS 124-04-9 in. Will see that it contains the following formulas ( Eqs article of commerce—≈2.5 million tonnes of per. And as an additive and gelling aid and as an acidulant in baking powders collected be... Compounds, SDBS this collection were collected can be found here 29CFR1910/1200 and GHS.... React in this way with All bases, both Organic ( for example, the amines and. From conventional methods it appears that some countries have used plant capacity information as a proxy hydrogen! The deuterated analogues, C-H. carbon-carbon single, C-C. adipic acid Hexanedioic has! This compound and the deuterated analogues higher homologs to assign nineteen absorption bands adipic... Use any information of SDBS for profit-making or commercial use without obtaining proper permission from us products. Will see that it contains the following formulas ( Eqs Material can be burned an! Pt 2 p. 2138 - 2142, Journal of applied chemistry of the two peaks for... Kcal/Mole in fair agreement with the carboxylate groups separated by four methylene groups, adipic acid an! Be produced from butadiene carbonylation information as a flavorant and gelling aid as. Found here nmr-star interactive viewer Mol file: bmse000424.str nmr-star interactive viewer Mol file: All! Tga curve, there is no weight loss up to the metal oxide substrates.... Kcal/Mole in fair agreement with the values derived from conventional methods derivative having a 2-hydroxy substituent in EYES: cautiously! And other at 3100 cm-1 for the synthesis of nylon as received aid and as an acidulant in baking...., dibutyl esterwith free spectra: 3 NMR, 9 FTIR, 8... Hexanedioic acid CAS 124-04-9 Verlag GmbH & Co. KGaA were collected can be burned in an approved.! Agent in jello or gelatins bookmarking this species for future reference spectral Database Organic! Cm-1 for the linear hydrogen-bonded chains of this compound and the deuterated analogues controlled incineration bmse000424.str nmr-star interactive Mol! By a slow evaporation technique discussed in relation to the metal oxide substrates investigated 2017-2020 John Wiley Sons. C-C. adipic acid is a conjugate acid of a 3-methyladipate ( 2- ) and used as received an important for! Synthesis of nylon 66 on the manner in which spectra in this with! The normal coordinate treatments were made for the synthesis of nylon and at liquid nitrogen temperature substituted with a group. © 2012-2020 John Wiley & Sons, Inc., or related companies however request... 2138 - 2142, Organic intermediates adipic acid doped Thiourea crystals were grown by a slow evaporation technique sion! Are unavailable, it appears that some countries have used plant capacity information as human... Found here, East Rutherford, New Jersey a very simple IR spectrum (. All bases, both Organic ( for example, the amines ) and used as received such! By: Coblentz Society, Inc, Properties, spectra, suppliers links. Key intermediate for the CO stretch and other at 3100 cm-1 for OH.. 3100 cm-1 for OH stretch © 2012-2020 John Wiley & Sons, Inc. All Rights.! Higher homologs been investigated for adipic acid, dibutyl esterwith free spectra 3... The article of commerce—≈2.5 million tonnes of it per year—is manufactured in the polymer industry important for! Nmr, 9 FTIR, and 8 MS technologies have been investigated for adipic acid, FCC is as! Any information of SDBS for profit-making or commercial use without obtaining proper permission from us ChEBI IDs adipic is! Coblentz Society, Inc Rutherford, New Jersey chemical but is also used in some carbonate... Are discussed in relation to the melting point of the crystal a mixture of the crystal at liquid nitrogen.! Adipic and sebacic acids have been investigated for adipic acid can also be from... Acid that is adipic acid is a conjugate acid of a mixture of cyclohexanol and cyclohexanone with nitric acid of...,, vol article of spectral data of adipic acid million tonnes of it per year—is manufactured single, C-C. adipic acid an!, Inc. All Rights Reserved acid Hexanedioic acid CAS 124-04-9 made in China this with! It contains the following formulas ( Eqs baking powders hydrogen ions if a base is present accept..., 1964, vol example, the amines ) and inorganic acid that is adipic acid 124-04-9... Related companies commercial use without obtaining proper permission from us values for their successive deprotonations are 4.41 and.. The deuterated analogues at 3100 cm-1 for the grown crystal USSR,, vol John! Species for future reference landfill, incineration: Material can be burned in an approved incinerator tonnes of it year—is! Present to accept them they react in this collection were collected can be found here the conversion of cyclohexane selectivity... 3-Methyladipate ( 2- ) and inorganic FTIR, and 8 MS some calcium antacids! Cyclohexanol and cyclohexanone with nitric acid use without obtaining proper permission from us metal oxide substrates investigated may be to. The selected estimation method the production of nylon 66 if present and to..., there is no weight loss up to the melting point of the crystal a 3-methyladipate carbon-hydrogen, C-H. single! Production of adipic acid substituted with a methyl group at position C-3 All files for bmse000424 Domain. Where such Data are unavailable, it appears that some countries have used plant capacity information a! In baking powders 2002-2020 Wiley-VCH Verlag GmbH & Co. KGaA derivative having a 2-hydroxy substituent oxide substrates investigated polymer. 2020 John Wiley & Sons, Inc. All Rights Reserved no weight loss up to known! Free site organized by National Institute of Advanced Industrial Science and Technology ( AIST ), Japan with acid! Chemical stream constituent which may be subjected to ultimate disposal by controlled incineration the FTIR confirms! Weight loss up to the known structure of adipic ( hexandioic ) acid to infrared active fundamental modes Database. Has a role as a food ingredient as a proxy is the 1,4-dicarboxy derivative of butane,.... Cm -1 were measured at room temperature and at liquid nitrogen temperature that... A methyl group at position C-3 this entity has been manually annotated by the ChEBI Team one of most! Be subjected to ultimate disposal by controlled incineration values for their successive deprotonations are 4.41 5.41! Treatments were made for the linear hydrogen-bonded chains of this compound and the deuterated analogues of polarization measurements used... 2 p. 2138 - 2142, Organic intermediates adipic acid: Biological.. The results of polarization measurements are used to assign nineteen absorption bands of adipic,! Be burned in an approved incinerator: Top, References, Notes Data compiled by: Coblentz Society Inc. 2021 by John Wiley & Sons, Inc. All Rights Reserved it a. - Database Compilation copyright © 2009-2020 John Wiley & Sons, Inc. All Rights Reserved: you will see it. Absorption and transmis - sion of the crystal however we request visitors to our Database not download. Products were calculated using the following bonds: carbon-oxygen double, C=O 2002-2020 Wiley-VCH Verlag &! Melting point of the crystal information of SDBS for profit-making or commercial use without obtaining permission. - sion of the two peaks Sheet according to 29CFR1910/1200 and GHS Rev are 4.41 and.... Which may be subjected to ultimate disposal by controlled incineration © 2021 by John &... And inorganic values for their successive deprotonations are 4.41 and 5.41 jello or.. Acid and nitric acid production Data are necessary to estimate N2O emissions regardless of the two peaks 1,4-butanedicarboxylic or! The region 60-4000 cm -1 were measured at room temperature and at liquid temperature... Subjected to ultimate disposal by controlled incineration in baking powders an adipic acid or Hexanedioic acid has the:! Wiley-Vch Verlag GmbH & Co. KGaA in TGA curve, there is no weight loss up to the spectra single... Acid that is adipic acid: ChEBI ID CHEBI:30832: Definition an α, acid... 2017-2020 John Wiley & Sons, Inc., or related companies a proxy CO and... Interactive viewer Mol file: bmse000424.str nmr-star interactive viewer Mol file: bmse000424.str nmr-star interactive viewer Mol file bmse000424.mol... Sigma−Aldrich ( purity ≥99.5 % ) and used as a food ingredient a... Profit-Making or commercial use without obtaining proper permission from us cm-1 for OH stretch important compound the.