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Substance Name: Isobutyl formate
RN: 542-55-2
UNII: 6OCL1KXH0Q
InChIKey: AVMSWPWPYJVYKY-UHFFFAOYSA-N

Molecular Formula

  • C5-H10-O2

Molecular Weight

  • 102.132
 
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Names and Synonyms

Name of Substance

  • Isobutyl formate

Synonyms

  • 2-Methyl-1-propyl formate
  • 2-Methylpropyl formate
  • 4-02-00-00029 (Beilstein Handbook Reference)
  • AI3-24240
  • BRN 1738888
  • EINECS 208-818-1
  • FEMA No. 2197
  • Formic acid, 2-methylpropyl ester
  • Formic acid, isobutyl ester
  • Iso-butyl formate
  • Isobutyl formate (natural)
  • Isobutyl methanoate
  • Isobutyl methanote
  • Isobutylester kyseliny mravenci
  • Isobutylester kyseliny mravenci [Czech]
  • NSC 6968
  • Tetryl formate
  • UNII-6OCL1KXH0Q

Systematic Names

  • Formic acid, 2-methylpropyl ester
  • Formic acid, isobutyl ester
  • Isobutyl formate

Superlist Names

  • Formic acid, 2-methylpropyl ester
  • Isobutyl formate
  • Isobutyl formate [UN2393] [Flammable liquid]
  • UN2393

Registry Numbers

CAS Registry Number

  • 542-55-2

FDA UNII

  • 6OCL1KXH0Q

System Generated Number

  • 0000542552

Structure Descriptors

InChI

1S/C5H10O2/c1-5(2)3-7-4-6/h4-5H,3H2,1-2H3

InChIKey

AVMSWPWPYJVYKY-UHFFFAOYSA-N

Smiles

CC(C)COC=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 oral 3064mg/kg (3064mg/kg)   Industrial Medicine and Surgery. Vol. 41, Pg. 31, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.58E+01 deg C   EXP
Boiling Point 98.2 deg C   EXP
log P (octanol-water) 1.230 (none)   EST
Water Solubility 1.02E+04 mg/L 25 EXP
Vapor Pressure 40.1 mm Hg 25 EXP
Henry's Law Constant 5.28E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.56E-12 cm3/molecule-sec 25 EST

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