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Substance Name: Octyl butyrate
RN: 110-39-4
UNII: 5YEU4O369L
InChIKey: PWLNAUNEAKQYLH-UHFFFAOYSA-N

Molecular Formula

  • C12-H24-O2

Molecular Weight

  • 200.3196
 
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Names and Synonyms

Name of Substance

  • Octyl butyrate

Synonyms

  • AI3-24204
  • Butanoic acid, octyl ester
  • Butyric acid, octyl ester
  • EINECS 203-762-4
  • FEMA No. 2807
  • n-Octyl butyrate
  • n-Octyl n-butyrate
  • NSC 72032
  • Octyl butanoate
  • Octyl butyrate
  • Octyl butyrate (natural)
  • UNII-5YEU4O369L

Systematic Names

  • Butanoic acid, octyl ester
  • Butyric acid, octyl ester (8CI)
  • Octyl butyrate

Superlist Name

  • Octyl butyrate

Registry Numbers

CAS Registry Number

  • 110-39-4

FDA UNII

  • 5YEU4O369L

System Generated Number

  • 0000110394

Structure Descriptors

InChI

1S/C12H24O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h3-11H2,1-2H3

InChIKey

PWLNAUNEAKQYLH-UHFFFAOYSA-N

Smiles

O(CCCCCCCC)C(CCC)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.56E+01 deg C   EXP
Boiling Point 244.1 deg C   EXP
log P (octanol-water) 4.790 (none)   EST
Atmospheric OH Rate Constant 1.19E-11 cm3/molecule-sec 25 EST

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