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Substance Name: 2-Ethylhexanoic acid
RN: 149-57-5
UNII: 01MU2J7VVZ
InChIKey: OBETXYAYXDNJHR-UHFFFAOYSA-N

Note

  • Wood preservative; 2-ethylhexanoic acid is active ingredient in Sinesto B.

Molecular Formula

  • C8-H16-O2

Molecular Weight

  • 144.2124
 

Classification Codes

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant

Superlist Classification Code

  • TWA (5 mg/m3, vapor and aerosol, inhalable fraction)
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Names and Synonyms

Name of Substance

  • 2-Ethylhexanoic acid

Synonyms

  • 2-Butylbutanoic acid
  • 2-Ethylcaproic acid
  • 2-Ethylhexanoic acid
  • 2-Ethylhexansaeure
  • 2-Ethylhexoic acid
  • 3-10-00-01641 (Beilstein Handbook Reference)
  • 3-Heptanecarboxylic acid
  • AI3-01371
  • alpha-Ethylcaproic acid
  • BRN 1750468
  • Butylethylacetic acid
  • CCRIS 3348
  • EC 205-743-6
  • EINECS 205-743-6
  • Ethyl hexanoic acid
  • Ethylhexanoic acid
  • Ethylhexoic acid
  • Hexanoic acid, 2-ethyl-
  • HSDB 5649
  • Kyselina 2-ethylkapronova
  • Kyselina 2-ethylkapronova [Czech]
  • Kyselina heptan-3-karboxylova
  • Kyselina heptan-3-karboxylova [Czech]
  • NSC 8881
  • UNII-01MU2J7VVZ

Systematic Names

  • 2-Ethylhexanoic acid
  • Hexanoic acid, 2-ethyl-

Superlist Names

  • 2-Ethylhexanoic acid
  • 2-Ethylhexoic acid
  • Ethyl hexanoic acid, 2-
  • Hexanoic acid, 2-ethyl-

Registry Numbers

CAS Registry Number

  • 149-57-5

FDA UNII

  • 01MU2J7VVZ

Other Registry Numbers

  • 202054-39-5
  • 83829-68-9

System Generated Number

  • 0000149575

Structure Descriptors

InChI

1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)

InChIKey

OBETXYAYXDNJHR-UHFFFAOYSA-N

Smiles

C(CCCC)(C(=O)O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin 6300uL/kg (6.3mL/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.
rabbit LD50 skin 1260uL/kg (1.26mL/kg)   Union Carbide Data Sheet. Vol. 11/4/1971,
rat LC inhalation > 400ppm/6H (400ppm)   Kodak Company Reports. Vol. 21MAY1971,
rat LD50 oral 3gm/kg (3000mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 228 deg C   EXP
log P (octanol-water) 2.64 (none)   EXP
Water Solubility 2000 mg/L 20 EXP
Vapor Pressure 0.03 mm Hg 20 EXP
Henry's Law Constant 2.85E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.18E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.