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Substance Name: Propyl butyrate
RN: 105-66-8
UNII: CW590750SQ
InChIKey: HUAZGNHGCJGYNP-UHFFFAOYSA-N

Molecular Formula

  • C7-H14-O2

Molecular Weight

  • 130.1856
 
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Names and Synonyms

Name of Substance

  • Propyl butyrate

Synonyms

  • 1-Propyl butyrate
  • 4-02-00-00788 (Beilstein Handbook Reference)
  • AI3-06123
  • BRN 1745552
  • Butanoic acid, propyl ester
  • Butyric acid, propyl ester
  • EINECS 203-320-0
  • FEMA No. 2934
  • Propyl butanoate
  • Propyl butyrate
  • Propyl butyrate (natural)
  • Propylester kyseliny maselne
  • Propylester kyseliny maselne [Czech]
  • UNII-CW590750SQ

Systematic Names

  • Butanoic acid, propyl ester
  • Butyric acid, propyl ester
  • Propyl butyrate

Superlist Names

  • Butanoic acid, propyl ester
  • Propyl butyrate
  • Propyl n-butyrate

Registry Numbers

CAS Registry Number

  • 105-66-8

FDA UNII

  • CW590750SQ

System Generated Number

  • 0000105668

Structure Descriptors

InChI

1S/C7H14O2/c1-3-5-7(8)9-6-4-2/h3-6H2,1-2H3

InChIKey

HUAZGNHGCJGYNP-UHFFFAOYSA-N

Smiles

CCCC(=O)OCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 oral 5729mg/kg (5729mg/kg)   Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.
rat LD50 oral 15gm/kg (15000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

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 -9.52E+01 deg C   EXP
Boiling Point 143 deg C   EXP
log P (octanol-water) 2.340 (none)   EST
Water Solubility 1620 mg/L 17 EXP
Vapor Pressure 5.95 mm Hg 25 EXP
Henry's Law Constant 6.36E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.41E-12 cm3/molecule-sec 25 EXP

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