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Substance Name: 1-Propen-2-ol, acetate
RN: 108-22-5
UNII: 4AR9LAS337
InChIKey: HETCEOQFVDFGSY-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C5-H8-O2

Molecular Weight

  • 100.116
 
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Names and Synonyms

Name of Substance

  • 1-Propen-2-ol, acetate
  • Isopropenyl acetate

Synonyms

  • 1-Acetoxy-1-methylethylene
  • 1-Methylvinyl acetate
  • 1-Propen-2-yl acetate
  • 2-Acetoxypropene
  • 2-Acetoxypropylene
  • 4-02-00-00179 (Beilstein Handbook Reference)
  • Acetic acid, isopropenyl ester
  • AI3-17634
  • BRN 1280347
  • CCRIS 6537
  • EC 203-562-7
  • EINECS 203-562-7
  • HSDB 5383
  • Isopropenyl acetate
  • Isopropenylester kyseliny octove
  • Isopropenylester kyseliny octove [Czech]
  • Methylvinyl acetate
  • NSC 2197
  • Propen-2-yl acetate
  • UNII-4AR9LAS337

Systematic Names

  • 1-Propen-2-ol, 2-acetate
  • 1-Propen-2-ol, acetate
  • Isopropenyl acetate

Superlist Names

  • 1-Propen-2-ol, acetate
  • Isopropenyl acetate
  • Isopropenyl acetate [UN2403] [Flammable liquid]
  • UN2403

Registry Numbers

CAS Registry Number

  • 108-22-5

FDA UNII

  • 4AR9LAS337

System Generated Number

  • 0000108225

Structure Descriptors

InChI

1S/C5H8O2/c1-4(2)7-5(3)6/h1H2,2-3H3

InChIKey

HETCEOQFVDFGSY-UHFFFAOYSA-N

Smiles

C(OC(C)=O)(C)=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 3gm/kg (3000mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 60, 1949.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.29E+01 deg C   EXP
Boiling Point 97 deg C   EXP
log P (octanol-water) 1.280 (none)   EST
Water Solubility 9520 mg/L 25 EST
Vapor Pressure 45.2 mm Hg 25 EST
Henry's Law Constant 1.83E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.96E-11 cm3/molecule-sec 25 EXP

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