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Substance Name: Ethyl n-butyrate
RN: 105-54-4
UNII: UFD2LZ005D
InChIKey: OBNCKNCVKJNDBV-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H12-O2

Molecular Weight

  • 116.1588
 
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Names and Synonyms

Name of Substance

  • Ethyl butyrate
  • Ethyl n-butyrate

Synonyms

  • 4-02-00-00787 (Beilstein Handbook Reference)
  • AI3-18427
  • BRN 0506331
  • Butanoic acid ethyl ester
  • Butyric acid, ethyl ester
  • Butyric ester
  • Butyric ether
  • CCRIS 6554
  • EINECS 203-306-4
  • Ethyl butanoate
  • Ethyl butyrate
  • Ethyl butyrate (natural)
  • Ethyl n-butyrate
  • FEMA No. 2427
  • FEMA Number 2427
  • HSDB 406
  • NSC 8857
  • UNII-UFD2LZ005D

Systematic Names

  • Butanoic acid, ethyl ester
  • Butyric acid, ethyl ester
  • Ethyl butyrate

Superlist Names

  • Butanoic acid, ethyl ester
  • Ethyl butyrate
  • Ethyl butyrate [UN1180] [Flammable liquid]
  • UN1180

Registry Numbers

CAS Registry Number

  • 105-54-4

FDA UNII

  • UFD2LZ005D

System Generated Number

  • 0000105544

Structure Descriptors

InChI

1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3

InChIKey

OBNCKNCVKJNDBV-UHFFFAOYSA-N

Smiles

C(=O)(CCC)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 oral 5228mg/kg (5228mg/kg)   Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
rabbit LD50 skin > 2gm/kg (2000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 719, 1974.
rat LD50 oral 13gm/kg (13000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: COMA
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.80E+01 deg C   EXP
Boiling Point 121.5 deg C   EXP
log P (octanol-water) 1.850 (none)   EST
Water Solubility 4900 mg/L 20 EXP
Vapor Pressure 12.8 mm Hg 20 EXP
Henry's Law Constant 3.99E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.94E-12 cm3/molecule-sec 25 EXP

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