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Substance Name: 9-Heptadecanone
RN: 540-08-9
InChIKey: WTJKUFMLQFLJOT-UHFFFAOYSA-N

Molecular Formula

  • C17-H34-O

Molecular Weight

  • 254.455
 
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Names and Synonyms

Name of Substance

  • 9-Heptadecanone

Synonyms

  • 4-01-00-03396 (Beilstein Handbook Reference)
  • 9-Oxoheptadecane
  • BRN 1707117
  • Di-n-octyl ketone
  • Dioctyl ketone
  • Dioctylketone
  • EINECS 208-734-5
  • NSC 7336
  • Octyl ketone
  • Pelargone

Systematic Name

  • Heptadecan-9-one

Registry Numbers

CAS Registry Number

  • 540-08-9

System Generated Number

  • 0000540089

Structure Descriptors

InChI

1S/C17H34O/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h3-16H2,1-2H3

InChIKey

WTJKUFMLQFLJOT-UHFFFAOYSA-N

Smiles

C(CCCCCCCC)(CCCCCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 10gm/kg (10000mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Acta Pharmacologica et Toxicologica. Vol. 37, Pg. 56, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 53 deg C   EXP
Boiling Point 251.5 deg C   EXP
log P (octanol-water) 6.640 (none)   EST
Atmospheric OH Rate Constant 2.46E-11 cm3/molecule-sec 25 EST

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