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Substance Name: 2-Propanone, 1-methoxy-
RN: 5878-19-3
InChIKey: CUZLJOLBIRPEFB-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C4-H8-O2

Molecular Weight

  • 88.1052
 
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Names and Synonyms

Synonyms

  • 1-Methoxy-2-propanone
  • 1-Methoxyacetone
  • 4-01-00-03977 (Beilstein Handbook Reference)
  • AI3-37789
  • BRN 1560175
  • EINECS 227-549-0
  • Methoxy-2-propanone
  • Methoxyacetone
  • Methoxymethyl methyl ketone

Systematic Names

  • 2-Propanone, 1-methoxy-
  • Methoxyacetone

Registry Numbers

CAS Registry Number

  • 5878-19-3

System Generated Number

  • 0005878193

Structure Descriptors

InChI

1S/C4H8O2/c1-4(5)3-6-2/h3H2,1-2H3

InChIKey

CUZLJOLBIRPEFB-UHFFFAOYSA-N

Smiles

C(C(C)=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 20mL/kg (20mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LD50 oral 8980uL/kg (8.98mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 116 deg C   EXP
log P (octanol-water) -0.500 (none)   EST
Water Solubility 3.37E+05 mg/L 25 EST
Vapor Pressure 50.9 mm Hg 25 EST
Henry's Law Constant 4.11E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.77E-12 cm3/molecule-sec 25 EXP

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