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Substance Name: Octyl acetate
RN: 112-14-1
UNII: X0FN2J413S
InChIKey: YLYBTZIQSIBWLI-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

  • Octyl acetate

Synonyms

  • 1-Octanol acetate
  • 1-Octyl acetate
  • 2-Ethylhexyl acetate
  • 4-02-00-00165 (Beilstein Handbook Reference)
  • Acetate C-8
  • AI3-11269
  • BRN 1754554
  • Caprylyl acetate
  • EINECS 203-939-6
  • FEMA No. 2806
  • n-Octanyl acetate
  • n-Octyl acetate
  • n-Octyl ethanoate
  • NSC 67348
  • Octyl acetate
  • Octyl acetate (natural)
  • Octyl acetate, normal
  • Octyl alcohol acetate
  • Octyl ethanoate
  • UNII-X0FN2J413S

Systematic Names

  • Acetic acid, octyl ester
  • Octyl acetate

Superlist Names

  • Acetic acid, octyl ester
  • n-Octyl acetate
  • Octyl acetate

Registry Numbers

CAS Registry Number

  • 112-14-1

FDA UNII

  • X0FN2J413S

System Generated Number

  • 0000112141

Structure Descriptors

InChI

1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3

InChIKey

YLYBTZIQSIBWLI-UHFFFAOYSA-N

Smiles

C(CCCCCC)COC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 815, 1974.
rat LD50 oral 3gm/kg (3000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 815, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.85E+01 deg C   EXP
Boiling Point 210 deg C   EXP
log P (octanol-water) 3.810 (none)   EST
Atmospheric OH Rate Constant 1.03E-11 cm3/molecule-sec 25 EST

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