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Substance Name: Acetol
RN: 116-09-6
UNII: 7I7YM0835W
InChIKey: XLSMFKSTNGKWQX-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C3-H6-O2

Molecular Weight

  • 74.0784
 
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Names and Synonyms

Name of Substance

  • Acetol

Synonyms

  • 1-Hydroxy-2-propanone
  • 1-Hydroxyacetone
  • 2-Oxopropanol
  • 4-01-00-03977 (Beilstein Handbook Reference)
  • Acetol
  • Acetol (VAN)
  • Acetone alcohol
  • Acetylcarbinol
  • Acetylmethanol
  • AI3-37788
  • BRN 0605368
  • EINECS 204-124-8
  • Hydroxyacetone
  • Hydroxymethyl methyl ketone
  • Methanol, acetyl-
  • NSC 102497
  • UNII-7I7YM0835W

Systematic Names

  • 2-Propanone, 1-hydroxy-
  • Hydroxy-2-propanone
  • Hydroxyacetone

Registry Numbers

CAS Registry Number

  • 116-09-6

FDA UNII

  • 7I7YM0835W

System Generated Number

  • 0000116096

Structure Descriptors

InChI

InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3

InChIKey

XLSMFKSTNGKWQX-UHFFFAOYSA-N

Smiles

CC(=O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2200mg/kg (2200mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 30, Pg. 63, 1948.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.70E+01 deg C   EXP
Boiling Point 145.5 deg C   EXP
log P (octanol-water) -0.780 (none)   EST
Water Solubility 1.00E+06 mg/L 20 EXP
Vapor Pressure 2.950 mm Hg 25 EST
Henry's Law Constant 7.73E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.02E-12 cm3/molecule-sec 25 EXP

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