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Substance Name: Isopropyl formate
RN: 625-55-8
UNII: H1L164W42G
InChIKey: RMOUBSOVHSONPZ-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative

Molecular Formula

  • C4-H8-O2

Molecular Weight

  • 88.1052
 
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Names and Synonyms

Name of Substance

  • Isopropyl formate

Synonyms

  • 1-Methylethyl formate
  • 4-02-00-00027 (Beilstein Handbook Reference)
  • AI3-15407
  • BRN 1735844
  • EINECS 210-901-2
  • FEMA No. 2944
  • Formic acid isopropyl ester
  • Formic acid, 1-methylethyl ester
  • Formic acid, isopropyl ester
  • HSDB 6401
  • Isopropyl formate
  • Isopropyl methanoate
  • NCI-C60106
  • UNII-H1L164W42G

Systematic Names

  • Formic acid, 1-methylethyl ester
  • Formic acid, isopropyl ester
  • Isopropyl formate

Superlist Names

  • Formic acid, 1-methylethyl ester
  • Formic acid, isopropyl ester
  • Isopropyl formate

Registry Numbers

CAS Registry Number

  • 625-55-8

FDA UNII

  • H1L164W42G

System Generated Number

  • 0000625558

Structure Descriptors

InChI

InChI=1S/C4H8O2/c1-4(2)6-3-5/h3-4H,1-2H3

InChIKey

RMOUBSOVHSONPZ-UHFFFAOYSA-N

Smiles

CC(C)OC=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1400ug/kg (1.4mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 4, Pg. 256, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.00E+01 deg C   EXP
Boiling Point 68.2 deg C   EXP
log P (octanol-water) 0.730 (none)   EST
Water Solubility 2.07E+04 mg/L 25 EXP
Vapor Pressure 138 mm Hg 25 EXP
Henry's Law Constant 7.75E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.12E-12 cm3/molecule-sec 25 EST

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