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Substance Name: 2-Ethylhexyl acetate
RN: 103-09-3
UNII: 2C7K8OA8SB
InChIKey: WOYWLLHHWAMFCB-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C10-H20-O2

Molecular Weight

  • 172.266
 
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Names and Synonyms

Name of Substance

  • 2-Ethylhexyl acetate
  • Octyl acetate

Synonyms

  • 2-Ethyl-1-hexanol acetate
  • 2-Ethyl-1-hexyl acetate
  • 2-Ethylhexanyl acetate
  • 2-Ethylhexyl acetate
  • 2-Ethylhexyl ethanoate
  • 2-Ethylhexylester kyseliny octove
  • 2-Ethylhexylester kyseliny octove [Czech]
  • 4-02-00-00166 (Beilstein Handbook Reference)
  • Acetic acid alpha-ethylhexyl ester
  • Acetic acid, 2-ethylhexyl ester
  • AI3-07924
  • beta-Ethylhexyl acetate
  • BRN 1758321
  • EC 203-079-1
  • EINECS 203-079-1
  • FEMA Number 2806
  • HSDB 2668
  • NSC 8897
  • UNII-2C7K8OA8SB

Systematic Names

  • 2-Ethylhexyl acetate
  • Acetic acid, 2-ethylhexyl ester

Superlist Names

  • 2-Ethylhexyl acetate
  • Acetic acid, 2-ethylhexyl ester
  • Octyl acetate

Registry Numbers

CAS Registry Number

  • 103-09-3

FDA UNII

  • 2C7K8OA8SB

Other Registry Number

  • 12261-98-2

System Generated Number

  • 0000103093

Structure Descriptors

InChI

1S/C10H20O2/c1-4-6-7-10(5-2)8-12-9(3)11/h10H,4-8H2,1-3H3

InChIKey

WOYWLLHHWAMFCB-UHFFFAOYSA-N

Smiles

C([C@@H](CCCC)CC)OC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 20mL/kg (20mL/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.
mouse LD50 oral > 3200mg/kg (3200mg/kg)   Kodak Company Reports. Vol. 21May1971,
rabbit LD skin > 20mL/kg (20mL/kg)   Union Carbide Data Sheet. Vol. 4/21/1967,
rat LC inhalation > 1100ppm/6H (1100ppm)   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
Melting Point -8.00E+01 deg C   EXP
Boiling Point 199 deg C   EXP
log P (octanol-water) 3.740 (none)   EST
Vapor Pressure 0.23 mm Hg 25 EXP
Henry's Law Constant 1.51E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.09E-11 cm3/molecule-sec 25 EST

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