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Substance Name: Butyl formate
RN: 592-84-7
UNII: 0Y9MZ7VM9P
InChIKey: NMJJFJNHVMGPGM-UHFFFAOYSA-N

Classification Code

  • Human Data

Molecular Formula

  • C5-H10-O2

Molecular Weight

  • 102.132
 
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Names and Synonyms

Name of Substance

  • Butyl formate

Synonyms

  • 4-02-00-00028 (Beilstein Handbook Reference)
  • AI3-25265
  • BRN 1742108
  • Butyl formate
  • Butyl methanoate
  • Butylester kyseliny mravenci
  • Butylester kyseliny mravenci [Czech]
  • EINECS 209-772-5
  • FEMA No. 2196
  • Formic acid, butyl ester
  • n-Butyl formate
  • n-Butyl methanoate
  • NSC 6969
  • UNII-0Y9MZ7VM9P

Systematic Names

  • Butyl formate
  • Formic acid, butyl ester

Superlist Names

  • Butyl formate
  • Formic acid, butyl ester
  • n-Butyl formate [UN1128] [Flammable liquid]
  • UN1128

Registry Numbers

CAS Registry Number

  • 592-84-7

FDA UNII

  • 0Y9MZ7VM9P

System Generated Number

  • 0000592847

Structure Descriptors

InChI

1S/C5H10O2/c1-2-3-4-7-5-6/h5H,2-4H2,1H3

InChIKey

NMJJFJNHVMGPGM-UHFFFAOYSA-N

Smiles

C(CCC)OC=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 10418ppm/70M (10418ppm)   AMA Archives of Industrial Health. Vol. 20, Pg. 517, 1959.
human TCLo inhalation 10418ppm (10418ppm) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
AMA Archives of Industrial Health. Vol. 20, Pg. 517, 1959.
rabbit LD50 oral 2656mg/kg (2656mg/kg)   Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.15E+01 deg C   EXP
Boiling Point 106.1 deg C   EXP
log P (octanol-water) 1.300 (none)   EST
Water Solubility 7560 mg/L 27 EXP
Vapor Pressure 28.9 mm Hg 25 EXP
Henry's Law Constant 5.14E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.12E-12 cm3/molecule-sec 25 EXP

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