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Substance Name: 2-Nonanone
RN: 821-55-6
UNII: ZE5K73YN2Z
InChIKey: VKCYHJWLYTUGCC-UHFFFAOYSA-N

Molecular Formula

  • C9-H18-O

Molecular Weight

  • 142.2402
 
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Names and Synonyms

Name of Substance

  • 2-Nonanone

Synonyms

  • 2-Nonanone (natural)
  • 4-01-00-03353 (Beilstein Handbook Reference)
  • beta-Nonanone
  • BRN 1743645
  • EINECS 212-480-0
  • FEMA No. 2785
  • Heptyl methyl ketone
  • Ketone, heptyl methyl
  • Methyl heptyl ketone
  • METHYL N-HEPTYL KETONE
  • Nonan-2-one
  • NSC 14760
  • UNII-ZE5K73YN2Z

Systematic Name

  • 2-Nonanone

Superlist Names

  • 2-Nonanone
  • Methyl heptyl ketone

Registry Numbers

CAS Registry Number

  • 821-55-6

FDA UNII

  • ZE5K73YN2Z

System Generated Number

  • 0000821556

Structure Descriptors

InChI

1S/C9H18O/c1-3-4-5-6-7-8-9(2)10/h3-8H2,1-2H3

InChIKey

VKCYHJWLYTUGCC-UHFFFAOYSA-N

Smiles

C(CCCCC)CC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 7994mg/kg (7994mg/kg)   Toxicology Letters. Vol. 30, Pg. 13, 1986.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 393, 1988.
rat LC inhalation > 3980mg/m3/6H (3980mg/m3)   Kodak Company Reports. Vol. 21MAY1971,
rat LD50 oral 3200mg/kg (3200mg/kg)   Kodak Company Reports. Vol. 21MAY1971,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.50E+00 deg C   EXP
Boiling Point 195.3 deg C   EXP
log P (octanol-water) 3.14 (none)   EXP
Water Solubility 371 mg/L 25 EXP
Vapor Pressure 0.624 mm Hg 25 EXP
Henry's Law Constant 3.67E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.22E-11 cm3/molecule-sec 25 EXP

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