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Substance Name: 2-Decanone
RN: 693-54-9
UNII: GX543OLT0R
InChIKey: ZAJNGDIORYACQU-UHFFFAOYSA-N

Molecular Formula

  • C10-H20-O

Molecular Weight

  • 156.267
 
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Names and Synonyms

Name of Substance

  • 2-Decanone

Synonyms

  • 2-Decanone
  • 4-01-00-03367 (Beilstein Handbook Reference)
  • BRN 1747463
  • EINECS 211-752-6
  • Methyl n-octyl ketone
  • Methyl octyl ketone
  • Octyl methyl ketone
  • UNII-GX543OLT0R

Systematic Name

  • 2-Decanone

Registry Numbers

CAS Registry Number

  • 693-54-9

FDA UNII

  • GX543OLT0R

System Generated Number

  • 0000693549

Structure Descriptors

InChI

InChI=1S/C10H20O/c1-3-4-5-6-7-8-9-10(2)11/h3-9H2,1-2H3

InChIKey

ZAJNGDIORYACQU-UHFFFAOYSA-N

Smiles

CCCCCCCCC(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 7936mg/kg (7936mg/kg)   Toxicology Letters. Vol. 30, Pg. 13, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 14 deg C   EXP
Boiling Point 210 deg C   EXP
log P (octanol-water) 3.73 (none)   EXP
Water Solubility 76.8 mg/L 25 EXP
Henry's Law Constant 3.60E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.32E-11 cm3/molecule-sec 25 EXP

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