2-Ethylbutyric acid

Base Information

• Chemical Name: 2-Ethylbutyric acid
• CAS No.: 88-09-5
• Deprecated CAS: 134331-89-8
• Molecular Formula: C6H12 O2
• Molecular Weight: 116.16
• Hs Code.: 2915.60
• European Community (EC) Number: 201-796-4
• NSC Number: 11765,8758
• UNII: IDY8B990KE
• DSSTox Substance ID: DTXSID2041418
• Nikkaji Number: J3.213A
• Wikidata: Q10844268
• Metabolomics Workbench ID: 147
• ChEMBL ID: CHEMBL184290
• Mol file: 88-09-5.mol

Synonyms:2-ETHYLBUTYRIC ACID;2-Ethylbutanoic acid;88-09-5;Diethylacetic acid;Butanoic acid, 2-ethyl-;Acetic acid, diethyl-;3-Pentanecarboxylic acid;2-Ethyl butanoic acid;Butyric acid, 2-ethyl-;diethyl acetic acid;2-Ethyl-butyric acid;alpha-Ethylbutyric acid;alpha-Ethylbuytyric acid;Kyselina diethyloctova;2-ethyl-butanoic acid;FEMA No. 2429;.alpha.-Ethylbutyric acid;NSC 11765;Kyselina diethyloctova [Czech];2-ethyl butyric acid;2-Ethyl-n-butyric acid;EINECS 201-796-4;UNII-IDY8B990KE;(C2H5)2CHCOOH;BRN 1098634;IDY8B990KE;AI3-04629;DTXSID2041418;NSC-11765;4-02-00-00950 (Beilstein Handbook Reference);a-Ethylbutyric Acid;WLN: QVY2&2;3-Pentane-Carboxylic Acid;Diathylessigsaure;ethylbutyric acid;diethyl-acetic acid;2-Ethylbutanoicacid;2 - ethylbutyric acid;butanoic acid, 2-ethyl;pentane-3-carboxylic acid;2-Ethylbutyric acid, 8CI;SCHEMBL6114;2-Ethylbutyric acid, 99%;CHEMBL184290;DIETHYLACETIC ACID [MI];DTXCID0021418;FEMA 2429;NSC8758;CHEBI:173424;2-ETHYLBUTYRIC ACID [FCC];2-ETHYLBUTYRIC ACID [FHFI];NSC-8758;NSC11765;STR03488;Tox21_301054;BBL018400;LMFA01020077;MFCD00002670;s6057;STL168031;AKOS000120398;CS-W004154;HY-W004154;CAS-88-09-5;NCGC00248269-01;NCGC00254956-01;2-Ethylbutyric acid, >=98%, FCC, FG;E0070;FT-0624869;EN300-20446;E77046;Q-200275;Q10844268;F2191-0102;Z104478232

Chemical Property of 2-Ethylbutyric acid

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 0.08 mm Hg ( 20 °C)
• Melting Point: -13 C
• Refractive Index: 1.4125 - 1.4140
• Boiling Point: 194 C
• PKA: pKa: 4.751(25°C)
• Flash Point: 87 ºC
• PSA: 37.30000
• Density: 0.924
• LogP: 1.50720
• Storage Temp.: Store below +30°C.
• Solubility.: 18g/l
• Water Solubility.: 18 g/L (20 ºC)
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 116.083729621
• Heavy Atom Count: 8
• Complexity: 74.6

Purity/Quality:

99.9% ^*data from raw suppliers

2-Ethylbutyric acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xn
• Statements: 21-36/37/38-34
• Safety Statements: 26-36/37/39-45-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: CCC(CC)C(=O)O
• Uses: 2-Ethylbutyric acid is used as the internal standard for determining volatile fatty acids (VFAs) in wastewater from the constructed wetlands. It is used in the determination of both free and fatty acids in milk and milk products by HPLC method with direct derivatisation. 2-Ethylbutyric Acid is a flavoring agent that is a clear liquid, color- less, with a rancid odor. it is miscible in alcohol and ether, sparingly soluble in water, and is obtained by chemical synthesis. Ester formation; intermediate for drugs, dyestuffs, chemicals; flavoring.

Technology Process of 2-Ethylbutyric acid

There total 74 articles about 2-Ethylbutyric acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

diethyl malonic acid (510-20-3) → 2-Ethylbutanoic acid (88-09-5)

Guidance literature:

With poly-4-vinylpyridine; In N,N-dimethyl-formamide; for 0.05h; microwave irradiation;

Reference yield: 92.0%

(2-ethyl-1-butyl)boronic acid (140614-19-3) → 2-Ethylbutanoic acid (88-09-5)

Guidance literature:

With chromium(VI) oxide; In dichloromethane; acetic acid; at 25 ℃; for 12h;

DOI:10.1016/S0040-4039(00)91853-7

Reference yield: 88.0%

2-Ethylbutyraldehyde (97-96-1) → 2-Ethylbutanoic acid (88-09-5)

Guidance literature:

With N-hydroxyphthalimide; oxygen; In acetonitrile; at 30 ℃; for 3h; Schlenk technique;

upstream raw materials:

peracetic acid

hex-3-yne

2-Ethylbutyraldehyde

diethyl ether

Downstream raw materials:

2-ethyl-butyric acid-(3-tetrahydro[2]furyl-propyl ester)

2-ethyl-butyric acid methyl ester

2-ethyl-1-butanol

chlorure d'acide ethyl-2 butyrique

Refernces

• 1、 Deng, Yao-Ting,Ding, Yi,Han, Ye-Qiang,Kong, Ke-Xin,Shi, Bing-Feng,Wu, Le-Song,Yang, Xu. "Synthesis of Acyclic Aliphatic Amides with Contiguous Stereogenic Centers via Palladium-Catalyzed Enantio-, Chemo- and Diastereoselective Methylene C(sp3)?H arylation". supporting information. p. 20455 - 20458. Retrieved 2020/09/07.
• 2、 Liu, Hui-Min,Jian, Lei,Li, Chao,Zhang, Chun-Chun,Fu, Hai-Yan,Zheng, Xue-Li,Chen, Hua,Li, Rui-Xiang. "Dehydrogenation of Alcohols to Carboxylic Acid Catalyzed by in Situ-Generated Facial Ruthenium- CPP Complex". . p. 9151 - 9160. Retrieved 2019/08/12.