3-Benzyl-4-heptanone Structure

3-Benzyl-4-heptanone

Chemical Properties

Boiling point 302.82°C (rough estimate)
Density  0.9463 (rough estimate)
refractive index  1.5397 (estimate)
FEMA  2146 | 3-BENZYL-4-HEPTANONE
FLAVIS Number 07.070 | 3-Benzylheptan-4-one
Odor at 100.00 %. fruity berry dried fruit herbal aldehydic minty plum raisin fig woody
Odor Type fruity
JECFA Number 830
Major Application pharmaceutical (small molecule)
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 O=C(C(CC)Cc1ccccc1)CCC
LogP 3.61
Substances Added to Food (formerly EAFUS) 3-BENZYL-4-HEPTANONE
EWG's Food Scores 1
FDA UNII 64UYT55005
EPA Substance Registry System 4-Heptanone, 3-(phenylmethyl)- (7492-37-7)
UNSPSC Code 41116107
NACRES NA.24
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Safety

WGK Germany  WGK 3
TSCA  TSCA listed
HS Code  2914399000
Storage Class 10 - Combustible liquids
Toxicity LD50 orl-rat: 4400 mg/kg JACTDZ 1,2,90

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3-Benzyl-4-heptanone Chemical Properties,Usage,Production

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