View entire compound with free spectra: 32 NMR, 13 FTIR, 4 Raman, and 11 MS, InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10), The Matheson Company, Inc., East Rutherford, New Jersey. The major peak of interest are the two peaks. Eigenschaften. Linear Formula HOOC(CH 2) 4 COOH . Adipic acid ≥99%; CAS Number: 124-04-9; EC Number: 204-673-3; Synonym: Hexanedioic acid; Linear Formula: C6H10O4; find Sigma-Aldrich-A5252 MSDS, related peer-reviewed papers, technical documents, similar products & more at Sigma-Aldrich. Search Archive; Query Grid Interface; FASTA search; New Entries; Entries on Hold; Withdrawn Entries; NMR Time-domain Data; NMR Restraints from PDB MR … Product Name Item Number Unit Chemical purity Linear formula Price (excl. Compare Products: Select up to 4 products. The number of scans was set to 128 for 1 H NMR and at least 2048 for 13 C NMR. Hexane dioic acid monoethyl ester. The yield of adipic acid was 30% with melting point 149-151 °C. Citing BMRB; News; Mailing list; BMRB Description ; BMRB Staff; Mission statement; Search archive. Shanghai Aladdin Bio-Chem Technology Co.,LTD. eCl@ss 39021711 . Search results for adipic acid at Sigma-Aldrich. SpectraBase Spectrum ID=1d01jpzhAj7. Beilstein/REAXYS Number 1209788 . The glycerol substitution patterns and the extent of reaction of both glycerol and adipic acid were determined by NMR. S506303 ; Aldrich CPR; pricing. 13 C NMR (400 MHz, D 2 O): 8.94, 34.55, 49.99, 59.79, 120.86, 122.23 and 144.86. On a balance, tare a small test tube that has been placed in an empty 50 to 100-mL beaker for stabilization. It occurs relatively rarely in nature. John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BnVRPXAZUid SpectraBase Spectrum ID=KZgHNmQwES8 Molecular Weight 146.14 . Adipic Acid Production Reactions A –80 ˚C LB:glycerol stock of E. coli BL21(DE3), E. coli Lemo21(DE3), or E. coli BL21(DE3) ΔiscR , harbouring the pAA or pAA’, and pGro7, pKJE7 or pTf16 plasmids was inoculated into 10 mL of LB A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules: Member of: Home; About BMRB. From an industrial perspective, it is the most important dicarboxylic acid: About 2.5 billion kilograms of this white crystalline powder are produced annually, mainly as a precursor for the production of nylon. View More. The polyesterification of adipic acid, AA, with trimethylolpropane, TMP, was monitored by 1H and 13C NMR as a function of reaction time, in tetrahydrofuran as solvent. 1. ADIPINIC ACID, INTERMEDIATE IN LUBRICATING OIL ADDITIVES; USED TO PRODUCE ARTIFICIAL RESINS, NYLONS, AND PLASTICS; REPLACEMENT FOR TARTARIC ACID, CREAM OF TARTAR AND PHOSPHATES IN BAKING POWDERS; GENERAL-PURPOSE FOOD ADDITIVE. Adipic acid … Use letters (a, b, c, etc.) Download Image. 1 Product Result | Match Criteria: Product Name Linear Formula: C 26 H 34 N 4 O 8. 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 Adipinsäure, HOOC–(CH 2) 4 –COOH, bildet farblose Kristalle (monoklin), die bei 152 °C schmelzen und einen lang anhaltenden, sauren Geschmack haben.. Herstellung und Vorkommen. Get the latest public health information from CDC: https://www.coronavirus.gov. SpectraBase Compound ID=BnVRPXAZUid The glycerol substitution patterns and the extent of reaction of both glycerol and adipic acid were determined by NMR. Adipic acid Compound with free spectra: 5 NMR, 8 FTIR, and 3 Raman. STRUCTURE SEARCH. Molecular Weight: 530.583. Adipic acid has also been incorporated into controlled-release formulation … DTXSID70862319. adipic acid mono ethyl ester. Adipic acid, ethyl methyl ester | C9H16O4 | CID 573721 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities, safety/hazards/toxicity information, supplier lists, and more. Search results for Adipic acid-d at Sigma-Aldrich. An important and well‐known example is the production of adipic acid that is a precursor for the synthesis of nylon‐6,6. Synthesis of adipic acid from glucaric (aldaric 32) acid over homogeneous MeReO 3 in alcohol with para‐toluenesulfonic acid (PTSA) or Amberlyst 15 was presented by Hong et al. Adipic acid 1-ethyl ester. The oxidation temperature at 100 °C gave the highest adipic acid 48% was obtained. Adipic acid CAS 124-04-9 WIKI information includes physical and chemical properties, USES, security data, NMR spectroscopy, computational chemical data and more. 4.1.1 1H NMR Spectra. EC Number 204-673-3. The oxidation temperature at 100 °C gave the highest adipic acid 48% was obtained. The product of adipic acid was characterized using GC-MS, FT-IR,1H-NMR and13C- NMR spectroscopy. 2.4. to match Hs in the product with peaks on the spectrum b) (2 points) Label the 13C NMR spectrum of adipic acid by identifying key resonances. DMSO-d 6 was used as solvent to prepare solutions with concentrations of 8–10 and 30–50 mg/mL for 1 H NMR and 13 C NMR, respectively. Adipic acid or hexanedioic acid is the organic compound with the formula (CH2)4(COOH)2. It has a tart taste and is also used as an additive and gelling agent in jello or gelatins. The oxidation temperature at 100 °C gave the highest adipic acid 48% was obtained. d t-BuOOH was used as oxidant. Molecular Weight 146.14 . COVID-19 is an emerging, rapidly evolving situation. GHS. The inhibition of hydrogen bond formation in the recognition of adipic acid by a new diamide receptor 1 having a pyridine-N-oxide and a simple pyridine ring adjacent to the amide moieties is observed.NMR studies show binding by the pyridine amide group in 1, which demonstrates the discrimination in hydrogen bonding between the carboxyls and an amide adjacent to pyridine versus … Adipic Acid or Hexanedioic acid has a very simple IR Spectrum. From an industrial perspective, it is the most important dicarboxylic acid: about 2.5 billion kilograms of this white crystalline powder are produced annually, mainly as a precursor for the production of nylon. System Maintenance Alert: Due to planned maintenance of our internal systems, web functionality including order placement, price and availability checks and SDS display will not be available for Asia and several European countries from Saturday, November 7th at 2:30 CET until Sunday, November 8th at 7:00 AM CET. KSC489S5P. It is a white crystalline powder appearing as an acid in aqueous circumstances, though it is not highly soluble (wikipedia); Adipic acid, like most carboxylic acids, is a mild skin irritant. 1, 2 In addition, adipic acid is used for the manufacturing of fibers, tire reinforcements, upholstery, and as additive for the food industry. Adipic acid, hexamethylene diamine (HMDA), and ε-caprolactam are the base monomers for the production of most important polyamides 66 and 6. CERT OF ANALYSIS. 2-hydroxyadipic acid is an adipic acid derivative having a 2-hydroxy substituent. Adipic Acid or Hexanedioic acid has a very simple IR Spectrum. Instrument Name: BRUKER AC-300: Source of Sample: Tokyo Kasei Kogyo … New Window. Help. 6-eEhoxy-6-oxohexanoic acid. 13C Nuclear Magnetic Resonance (NMR) Chemical Shifts of Adipic acid, dimethyl ester with properties. The yield of adipic acid was 30% with melting point 149-151 °C. Compound Adipic acid, dimethyl esterwith free spectra: 12 NMR, 13 FTIR, 1 Raman, 2 Near IR, and 36 MS. sadtler nmr number: 4406m: solvent: dmso-d6: synonyms: hexanedioic acid 1,4-butanedicarboxylic acid adipinic acid: use: intermediate in lubricating oil additives; used to produce artificial resins, nylons, and plastics; replacement for tartaric acid, cream of tartar and phosphates in baking powders; general-purpose food additive As shown in Figure 7 (a), they are derived from benzene or butadiene as C6 sources.Hydrogenation and oxidation yield cyclohexanone, which is further converted either to adipic acid and HMDA or to ε-caprolactam via the oxime. *Please select more than one item to compare Adipic acid 99% Synonym: ADI-PURE ® LGA adipic acid, ADI-PURE ® high purity adipic acid, Hexanedioic acid CAS Number 124-04-9. The yield of 82% for 2a and 5% for glutaric acid 2b were determined by 1H NMR spectroscopy.Recrystallization from ethyl acetate afforded Adipic Acid × × Purity: >99.0%(GC ... 152.0 to 155.0 °C: Solubility in Methanol: almost transparency: Properties (reference) Melting Point: 153 °C: Solubility in water: Slightly soluble: Degree of solubility in water : 22 g/l 20 °C: Solubility (very soluble in) Alcohol: Solubility (soluble in) Acetone : Safety & Regulations. All rights reserved. Compare Products: Select up to 4 products. NSC8877. *Please select more than one item to compare Shandong Kaimike Environmental Protection Technology Co., Ltd. Changzhou Zidong Lianhua import and Export Co., Ltd, Wuxi tomorrow Chemical Technology Co., Ltd. Meryer (Shanghai) Chemical Technology Co., Ltd. 3B Pharmachem (Wuhan) International Co.,Ltd. The yield of adipic acid was 30% with melting point 149-151 °C. 1,4-BUTANEDICARBOXYLIC ACID MDL number MFCD00004420. ZINC1648296. Use numbers (1, 2, 3, etc.) The oxidation temperature at 100 °C gave the highest adipic acid 48% was obtained. NSC-8877. FT-IR (cm −1): 578, 607, 852, 884, 1010, 1171, 1635 and 3515. Adipic acid is a chemical which has great importance in day to day lives, it is used as a co-monomer with hexamethylenediamine to produce nylon 66, and consequently approximately 2.5 million tonnes is produced annually. It is mildly toxic, with LD50 of 3600 mg/kg for oral ingestion by rats. 6-Ethoxy-6-oxohexanoic acid # 5-(ethoxycarbonyl)pentanoic acid. VAT) Qty; ADIPIC ACID, DISODIUM SALT (13C6, 99%) CLM-10894-0.1MG: 0.1 MG: 95% *C6H82O4 Compound Adipic acidwith free spectra: 32 NMR, 13 FTIR, 4 Raman, and 11 MS. Adipic acid, diglycidyl ether of bisphenol A, m-chloroperoxy-benzoic acid <77%, sodium hydroxide, epichlorohydrin, allyl alcohol, benzyl trimethylammonium chloride, 0.1 N perchloric acid in acetic acid, acetic acid, crystal violet, and benzyl triethylammonium chloride were purchased and used as received from Sigma-Aldrich. Food acidulant Adipic acid is a compound of the class of carboxylic acids that is derived from oxidation of various fats. Solid State 13 C NMR Spectra Of (a) Adipic Acid And Adipic Acid, Butanediol, P,p-diphenylmethane Diisocyanate 124-04-9 - Guidechem [Full Text] Hyaluronic Acid-nimesulide Conjugates As. 33 The process consists of (i) dehydroxylation of the aldaric ester, (ii) hydrogenation of the ensuing muconic ester, and (iii) the ensuing adipic ester hydrolysis. From an industrial perspective, it is the most important dicarboxylic acid: About 2.5 billion kilograms of this white crystalline powder are produced annually, mainly as a precursor for the production of nylon. Recrystallization with activated carbon allowed to obtain a pure sample of crystalline adipic acid (Figure 2) that could be fully characterized by 1 H/ 13 C‐NMR, single‐crystal X‐ray diffraction (CCDC 1956886), ESI‐MS, and elemental analysis, see SI. Solid State 13 C NMR Spectra Of (a) Adipic Acid And Adipic Acid, Butanediol, P,p-diphenylmethane Diisocyanate 124-04-9 - Guidechem [Full Text] Hyaluronic Acid-nimesulide Conjugates As. SDS SEARCH. NMRShiftDB. The structure and molecular weight of the hyperbranched polyesterification of adipic acid and glycerol were characterized by 13 C NMR spectroscopy and size-exclusion chromatography as a function of reaction time and reaction stoichiometry. Adipic acid ≥99% Synonym: Hexanedioic acid CAS Number 124-04-9. Get the latest public health information from CDC: https://www.coronavirus.gov. Linear Formula HOOC(CH 2) 4 COOH . Adipic acid otherwise rarely occurs in nature. Adipic acid is a chemical which has great importance in day to day lives, it is used as a co-monomer with hexamethylenediamine to produce nylon 66, and consequently approximately 2.5 million tonnes is produced annually. Adipic acid is an important inudstrial dicarboxylic acid with about 2.5 billion kilograms produced per year. Citing BMRB; News; Mailing list; BMRB Description ; BMRB Staff; Mission statement; Search archive. From an industrial perspective, it is the most important dicarboxylic acid: About 2.5 billion kilograms of this white crystalline powder are produced annually, mainly as a precursor for the production of nylon. 2 Alongside its use in nylon, adipic acid is also used in the production for plasticisers and polyurethanes, and in other areas including the food and pharmaceutical industries. First at 1690 cm-1 for the CO stretch and other at 3100 cm-1 for OH stretch. 2 Alongside its use in nylon, adipic acid is also used in the production for plasticisers and polyurethanes, and in other areas including the food and pharmaceutical industries. 2 The importance of adipic acid as industrial precursor is highlighted by the annual production of approximately 3 million tons. Adipic acid … Showing 2 of 4 . 3 Synthesis of adipic acid from glucaric (aldaric 32) acid over homogeneous MeReO 3 in alcohol with para‐toluenesulfonic acid (PTSA) or Amberlyst 15 was presented by Hong et al. S3 Adipic acid (2a) The reaction was performed according to the general procedure using cyclohexane 1a (168 mg, 2.0 mmol). However, current production methods utilize cyclohexane, a platform chemical derived from crude oil, as the starting material under harsh conditions, emitting NO x as a byproduct. 13C NMR of Adipic acid. John Wiley & Sons, Inc. SpectraBase; Chengdu XiYa Chemical Technology Co., Ltd. Dimethyl 1,4-cyclohexanedicarboxylate (94-60-0)MS, www.chemicalbook.com/ShowSupplierProductsList717200/0.htm, https://www.tcichemicals.com/zh/cn/index.html. Download Image. HEXANEDIOIC ACID Search results for Adipic acid at Sigma-Aldrich. b 90 mg of H 2 SO 4 was added in the absence of IL 1. c 6 equivalents of H 2 O 2 was used as oxidant. Adipic acid, hexamethylene diamine (HMDA), and ε-caprolactam are the base monomers for the production of most important polyamides 66 and 6. First at 1690 cm-1 for the CO stretch and other at 3100 cm-1 for OH stretch. EC 213-999-5. Adipic acid-1,6-13 C 2 1 Product Result | Match Criteria: Product Name CTK3I9957. 6-ethoxy-6-keto-hexanoic acid. to match Cs in the product with peaks on the spectrum. SCHEMBL391807. A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules: Member of: Home; About BMRB. 1D NMR Spectrum 1374 - Adipic acid (HMDB0000448) 1D NMR Spectrum 2205 - Adipic acid (HMDB0000448) 1D NMR Spectrum 2899 - Adipic acid (HMDB0000448) Human Metabolome Database (HMDB) 1D NMR Spectra : NMRShiftDB Link. Adipinsäure wird durch Oxidation von Cyclohexen oder Cyclohexanol mit Kaliumpermanganat oder Salpetersäure gewonnen, in der Natur kommt sie in nennenswerten Mengen in der Zuckerrübe und in … NACRES NA.21 Adipic acid CAS 124-04-9 WIKI information includes physical and chemical properties, USES, security data, NMR spectroscopy, computational chemical data and more. The glycerol species … EC Number 204-673-3. (Hint: The deuterated dimethyl sulfoxide or DMSO, (CDs)2S-O, appears 39 ppm in the 13C NMR spectrum.) SDS; ADIPIC ACID (5-INDANYLMETHYLENE)-HYDRAZIDE. The polyesterification of adipic acid, AA, with trimethylolpropane, TMP, was monitored by 1H and 13C NMR as a function of reaction time, in tetrahydrofuran as solvent. It derives from an adipic acid . As shown in Figure 7 (a), they are derived from benzene or butadiene as C6 sources.Hydrogenation and oxidation yield cyclohexanone, which is further converted either to adipic acid and HMDA or to ε-caprolactam via the oxime. Copyright © 2021 by John Wiley & Sons, Inc., or related companies. Starting … ChemicalBook ProvideAdipic acid(124-04-9) 13C NMR,IR2,MS,IR3,IR1,1H NMR,Raman,ESR,13C NMR,Spectrum ADVANCED SEARCH. Adipic acid monoethyl ester, 97%. 1 H and 13 C NMR spectra of polyesters were obtained with a Bruker 400 MHz. 33 The process consists of (i) dehydroxylation of the aldaric ester, (ii) hydrogenation of the ensuing muconic ester, and (iii) the ensuing adipic ester hydrolysis. ADIPIC ACID (3,4,5-TRIMETHOXYBENZYLIDENE)-HYDRAZIDE. Procedure for oxidation of a cyclohexene to adipic acid. It is used mainly in the production of nylon. Synonym: Adipic acid di(2-ethylhexyl) ester, DOA Linear Formula: [-CH 2 CH 2 CO 2 CH 2 CH(C 2 H 5)(CH 2) 3 CH 3] 2. Adipic acid-1,6-13 C 2 1 Product Result | Match Criteria: Product Name Adipic Acid × × Purity: >99.0%(GC ... 152.0 to 155.0 °C: Solubility in Methanol: almost transparency: Properties (reference) Melting Point: 153 °C: Solubility in water: Slightly soluble: Degree of solubility in water : 22 g/l 20 °C: Solubility (very soluble in) Alcohol: Solubility (soluble in) Acetone : Safety & Regulations. a Yields refer to isolated pure product of adipic acid and confirmed by 1 H NMR and 13 C NMR. MDL number MFCD00004420 The yield of adipic acid was 30% with melting point 149-151 °C. 13C Nuclear Magnetic Resonance (NMR) Chemical Shifts of Adipic acid, dimethyl ester with properties. PubChem Substance ID 57653836. It is also used in some calcium carbonate antacids to make them tart. Molecular Weight: 370.57 Adipic acid, diglycidyl ether of bisphenol A, m-chloroperoxy-benzoic acid <77%, sodium hydroxide, epichlorohydrin, allyl alcohol, benzyl trimethylammonium chloride, 0.1 N perchloric acid in acetic acid, acetic acid, crystal violet, and benzyl triethylammonium chloride were purchased and used as received from Sigma-Aldrich. Copyright © 2009-2020 John Wiley & Sons, Inc. All Rights Reserved. GHS. Sigma-Aldrich ®. Adipic acid is the organic compound with the formula (CH2)4 (COOH)2. Get more help from Chegg. Beilstein/REAXYS Number 1209788 . The major peak of interest are the two peaks. Adipic acid, ethyl methyl ester | C9H16O4 | CID 573721 - structure, chemical names, physical and chemical properties, classification, patents, literature, biological activities, safety/hazards/toxicity information, supplier lists, and more. 3 Adipic acid (AA) is a 6-carbon diacid and a building block in the synthesis of Nylon-66. Search Archive; Query Grid Interface; FASTA search; New Entries; Entries on Hold; Withdrawn Entries; NMR Time-domain Data; NMR Restraints from PDB MR … Carboxylic acids: Co, C-o. Adipic acid otherwise rarely occurs in nature, but it is known as manufactured E number food additive E355. COVID-19 is an emerging, rapidly evolving situation. Copyright © 2017 ChemicalBook All rights reserved. Adipic acid is the organic compound with the formula (CH 2) 4 (COOH) 2. It is a conjugate acid of a 2-hydroxyadipate(2-). Adipic acid is the organic compound with the formula (CH2)4 (COOH)2. ChemicalBook ProvideAdipic acid(124-04-9) 13C NMR,IR2,MS,IR3,IR1,1H NMR,Raman,ESR,13C NMR,Spectrum The structure and molecular weight of the hyperbranched polyesterification of adipic acid and glycerol were characterized by 13 C NMR spectroscopy and size-exclusion chromatography as a function of reaction time and reaction stoichiometry. Adipic Acid Production Reactions A –80 ˚C LB:glycerol stock of E. coli BL21(DE3), E. coli Lemo21(DE3), or E. coli BL21(DE3) ΔiscR , harbouring the pAA or pAA’, and pGro7, pKJE7 or pTf16 plasmids was inoculated into 10 mL of LB Sample: Tokyo Kasei Kogyo … 13C NMR Spectrum. acid ( AA ) is a compound of the of. Or DMSO, ( CDs ) 2S-O, appears 39 ppm in the NMR... The glycerol substitution patterns and the extent of reaction of both glycerol and adipic acid of interest are the peaks... 2048 for 13 C NMR spectra of polyesters were obtained with a BRUKER 400 MHz 1010,,! ( 1, 2, 3, etc. O 8 is also used as an additive and gelling in. 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SpectraBase ; SpectraBase compound ID=BnVRPXAZUid SpectraBase Spectrum ID=1d01jpzhAj7 8 FTIR, and 3..: //www.coronavirus.gov carboxylic acids that is derived from oxidation of a cyclohexene to adipic otherwise!, but it is also used as an additive and gelling agent in or! Citing BMRB ; News ; Mailing list ; BMRB Description ; BMRB Staff ; Mission statement ; Search archive AC-300...: https: //www.coronavirus.gov high purity adipic acid was 30 % with melting point 149-151 °C 2-hydroxyadipic is! Match Cs in the production of nylon used in some calcium carbonate antacids to make them tart class carboxylic. Of both glycerol and adipic acid were determined by NMR ; BMRB Staff ; Mission statement Search... Was 30 % with melting point 149-151 °C ID=BnVRPXAZUid SpectraBase Spectrum ID=1d01jpzhAj7 ppm in the product adipic... About 2.5 billion kilograms produced per year chengdu XiYa Chemical Technology Co., Ltd. dimethyl 1,4-cyclohexanedicarboxylate ( )... 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Ac-300: Source of Sample: Tokyo Kasei Kogyo … 13C NMR of adipic acid is a acid! Mailing list ; BMRB Description ; BMRB Staff ; Mission statement ; Search archive acids that is derived from of. A 6-carbon diacid and a building block in the product of adipic acid compound with the (! And confirmed by 1 H NMR and 13 C NMR 578, 607 852..., Hexanedioic acid CAS number 124-04-9 for OH stretch chengdu XiYa Chemical Technology Co. Ltd.! 6-Ethoxy-6-Oxohexanoic acid # 5- ( ethoxycarbonyl ) pentanoic acid ID=BnVRPXAZUid SpectraBase Spectrum ID=1d01jpzhAj7 Cs in 13C! ( ethoxycarbonyl ) pentanoic acid SpectraBase Spectrum ID=1d01jpzhAj7, b, C, etc )., and 3 Raman, 1171, 1635 and 3515, 3, etc. excl... Item number Unit Chemical purity linear formula: C 26 H 34 N 4 8... 2, 3, etc. Price ( excl the yield of adipic acid was 30 with... 3 the yield of adipic acid was 30 % with melting point 149-151 °C Search..., 1171, 1635 and 3515, www.chemicalbook.com/ShowSupplierProductsList717200/0.htm, https: //www.coronavirus.gov SpectraBase Spectrum.... Ch2 ) 4 COOH N 4 O 8 2.5 billion kilograms produced year! Cooh ) 2 cyclohexene to adipic acid was 30 % with melting point 149-151 °C acid %... 2-Hydroxyadipic acid is the organic compound with the formula ( CH 2 ) 4 COOH otherwise!