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Substance Name: Octyl formate
RN: 112-32-3
UNII: 2XZ47CUU7G
InChIKey: AVBRYQRTMPHARE-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C9-H18-O2

Molecular Weight

  • 158.239
 
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Names and Synonyms

Name of Substance

  • Octyl formate

Synonyms

  • 1-Octyl formate
  • 4-02-00-00031 (Beilstein Handbook Reference)
  • BRN 1755259
  • EINECS 203-959-5
  • FEMA No. 2809
  • Formic acid, octyl ester
  • n-Octyl formate
  • n-Octyl methanoate
  • NSC 404473
  • Octyl alcohol, formate (6CI)
  • Octyl formate
  • Octyl methanoate
  • UNII-2XZ47CUU7G

Systematic Names

  • Formic acid, octyl ester
  • Octyl formate

Superlist Name

  • Octyl formate

Registry Numbers

CAS Registry Number

  • 112-32-3

FDA UNII

  • 2XZ47CUU7G

System Generated Number

  • 0000112323

Structure Descriptors

InChI

1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3

InChIKey

AVBRYQRTMPHARE-UHFFFAOYSA-N

Smiles

C(CCCCC)CCOC=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 883, 1979.
rat LD50 oral > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 883, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.91E+01 deg C   EXP
Boiling Point 198.8 deg C   EXP
log P (octanol-water) 3.260 (none)   EST
Atmospheric OH Rate Constant 1.02E-11 cm3/molecule-sec 25 EST

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