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Substance Name: Diamyl ketone
RN: 927-49-1
UNII: 8JMD3E1SOO
InChIKey: ZPQAKYPOZRXKFA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H22-O

Molecular Weight

  • 170.294
 
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Names and Synonyms

Name of Substance

  • Diamyl ketone

Synonyms

  • 4-01-00-03376 (Beilstein Handbook Reference)
  • 6-Oxoundecane
  • 6-Undecanone
  • AI3-04249
  • Amyl ketone
  • BRN 1749440
  • Diamyl ketone
  • Dipentyl ketone
  • EINECS 213-150-9
  • Pentyl ketone
  • UNII-8JMD3E1SOO

Systematic Name

  • 6-Undecanone

Registry Numbers

CAS Registry Number

  • 927-49-1

FDA UNII

  • 8JMD3E1SOO

System Generated Number

  • 0000927491

Structure Descriptors

InChI

1S/C11H22O/c1-3-5-7-9-11(12)10-8-6-4-2/h3-10H2,1-2H3

InChIKey

ZPQAKYPOZRXKFA-UHFFFAOYSA-N

Smiles

C(C(CCCCC)=O)CCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 117mg/kg (117mg/kg)   Journal of Pharmaceutical Sciences. Vol. 67, Pg. 566, 1978.
rat LDLo oral 1gm/kg (1000mg/kg)   Clinical Toxicology. Vol. 17, Pg. 271, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 14.5 deg C   EXP
Boiling Point 228 deg C   EXP
log P (octanol-water) 3.690 (none)   EST
Water Solubility 50 mg/L 25 EXP
Vapor Pressure 0.05 mm Hg 20 EXP
Henry's Law Constant 2.24E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.61E-11 cm3/molecule-sec 25 EST

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