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Substance Name: 3-Benzyl-4-heptanone
RN: 7492-37-7
UNII: 64UYT55005
InChIKey: CGTCWTIGDNJZOX-UHFFFAOYSA-N

Molecular Formula

  • C14-H20-O

Molecular Weight

  • 204.311
 
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Names and Synonyms

Name of Substance

  • 3-Benzyl-4-heptanone

Synonyms

  • 1-Benzyl dipropyl ketone
  • 1-Benzyldipropyl ketone
  • 3-(Phenylmethyl)-4-heptanone
  • 3-Benzyl-4-heptanone
  • 4-Heptanone, 3-(phenylmethyl)-
  • 4-Heptanone, 3-benzyl-
  • Benzyl dipropyl ketone
  • BRN 2262221
  • EINECS 231-317-4
  • FEMA No. 2146
  • Morellone
  • UNII-64UYT55005

Systematic Names

  • 3-(Phenylmethyl)heptan-4-one
  • 4-Heptanone, 3-(phenylmethyl)-
  • 4-Heptanone, 3-benzyl- (8CI)

Superlist Name

  • 3-Benzyl-4-heptanone

Registry Numbers

CAS Registry Number

  • 7492-37-7

FDA UNII

  • 64UYT55005

System Generated Number

  • 0007492377

Structure Descriptors

InChI

1S/C14H20O/c1-3-8-14(15)13(4-2)11-12-9-6-5-7-10-12/h5-7,9-10,13H,3-4,8,11H2,1-2H3

InChIKey

CGTCWTIGDNJZOX-UHFFFAOYSA-N

Smiles

C(=O)(C(Cc1ccccc1)CC)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 4400mg/kg (4400mg/kg) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 2, 1990.