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Substance Name: 2-Undecanone
RN: 112-12-9
UNII: YV5DSO8CY9
InChIKey: KYWIYKKSMDLRDC-UHFFFAOYSA-N

Note

  • Insect Repellents; 2-undecanone is the active ingredient of arthropod repellent BioUD; an efficacious alternative to deet.

Molecular Formula

  • C11-H22-O

Molecular Weight

  • 170.294
 

Classification Codes

  • Agricultural Chemical
  • Insect Attractant, Repellent and Chemosterilant
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • 2-Undecanone
  • Methyl nonyl ketone

Synonyms

  • 2-Hendecanone
  • 2-Oxoundecane
  • 2-Undecanone (natural)
  • 4-01-00-03374 (Beilstein Handbook Reference)
  • AI3-03081
  • BRN 1749573
  • Caswell No. 573O
  • EINECS 203-937-5
  • EPA Pesticide Chemical Code 044102
  • FEMA No. 3093
  • HSDB 7431
  • Ketone, methyl nonyl
  • Methyl n-nonyl ketone
  • Methyl nonyl ketone
  • MGK Dog and Cat Repellent
  • MNK
  • Nonyl methyl ketone
  • NSC 4028
  • Rue ketone
  • Undecan-2-one
  • UNII-YV5DSO8CY9

Systematic Name

  • 2-Undecanone

Superlist Name

  • 2-Undecanone

Registry Numbers

CAS Registry Number

  • 112-12-9

FDA UNII

  • YV5DSO8CY9

System Generated Number

  • 0000112129

Structure Descriptors

InChI

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

InChIKey

KYWIYKKSMDLRDC-UHFFFAOYSA-N

Smiles

C(CCCCCC)CCC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3880mg/kg (3880mg/kg)   Acta Pharmaceutica Jugoslavica. Vol. 12, Pg. 79, 1962.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 869, 1975.
rat LD50 oral 5gm/kg (5000mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C201, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 15 deg C   EXP
Boiling Point 231.5 deg C   EXP
log P (octanol-water) 4.09 (none)   EXP
Water Solubility 19.7 mg/L 25 EST
Henry's Law Constant 6.36E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.38E-11 cm3/molecule-sec 25 EST

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