E29141

2-Ethylhexanoic acid

99%

• Synonym(s): 2-Ethylcaproic acid
• Linear Formula: CH₃(CH₂)₃CH(C₂H₅)CO₂H
• CAS Number: 149-57-5
• Molecular Weight: 144.21
• Beilstein/REAXYS Number: 1750468
• EC Number: 205-743-6
• MDL number: MFCD00002675
• UNSPSC Code: 12352100
• PubChem Substance ID: 24894490
• NACRES: NA.22

Properties

• vapor density: 4.98 (vs air)
• Quality Level: 200
• vapor pressure: <0.01 mmHg ( 20 °C); 10 mmHg ( 115 °C)
• assay: 99%
• form: liquid
• autoignition temp.: 699 °F
• expl. lim.: 1.04 %, 135 °F; 8.64 %, 188 °F
• refractive index: n20/D 1.425 (lit.)
• bp: 228 °C (lit.)
• density: 0.903 g/mL at 25 °C (lit.)
• SMILES string: CCCCC(CC)C(O)=O
• InChI: 1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
• InChI key: OBETXYAYXDNJHR-UHFFFAOYSA-N

Description

Application

2-Ethylhexanoic acid can be used:

• As a reactant in esterification [1], decarboxylative alkynylation [2], and preparation of alkyl coumarins via decarboxylative coupling reactions.[3]
• In the organocatalytic medium for the preparation of various 3,4-dihydropyrimidin-2(1H)-ones/thiones by Biginelli reaction.[4][5]

Safety Information

• pictograms: GHS08
• signalword: Danger
• hcodes: H360D
• pcodes: P201 - P202 - P280 - P308 + P313 - P405 - P501
• Hazard Classifications: Repr. 1B
• Storage Class: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 1
• flash_point_f: 237.2 °F - closed cup
• flash_point_c: 114 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter