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Substance Name: n-Butyl propionate
RN: 590-01-2
UNII: 2NXC4AK99E
InChIKey: BTMVHUNTONAYDX-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C7-H14-O2

Molecular Weight

  • 130.186
 
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Names and Synonyms

Name of Substance

  • n-Butyl propionate
  • N-butylpropionate

Synonyms

  • 4-02-00-00708 (Beilstein Handbook Reference)
  • AI3-24352
  • BRN 1700932
  • Butyl propanoate
  • Butyl propionate
  • Butyl propionate (natural)
  • EINECS 209-669-5
  • FEMA No. 2211
  • n-Butyl propanoate
  • n-Butyl propionate
  • NSC 8449
  • Propanoic acid, butyl ester
  • Propionic acid, butyl ester
  • UNII-2NXC4AK99E

Systematic Names

  • Butyl propionate
  • Propanoic acid, butyl ester
  • Propionic acid, butyl ester

Superlist Names

  • Butyl propionate
  • Butyl propionate [UN1914] [Flammable liquid]
  • n-Butyl propionate
  • Propanoic acid, butyl ester
  • Propionic acid, butyl ester
  • UN1914

Registry Numbers

CAS Registry Number

  • 590-01-2

FDA UNII

  • 2NXC4AK99E

System Generated Number

  • 0000590012

Structure Descriptors

InChI

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

InChIKey

BTMVHUNTONAYDX-UHFFFAOYSA-N

Smiles

CCCCOC(=O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 14gm/kg (14000mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 192, 1992.
rat LD50 oral 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 18, Pg. 661, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.90E+01 deg C   EXP
Boiling Point 146.8 deg C   EXP
log P (octanol-water) 2.340 (none)   EST
Water Solubility 1500 mg/L 20 EXP
Vapor Pressure 4.42 mm Hg 25 EXP
Henry's Law Constant 5.05E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.02E-12 cm3/molecule-sec 25 EST

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