Chem
J-GLOBAL ID：200907021250563679   Nikkaji number：J105.390F

Isovaleric acid 3-phenylallyl ester

イソ吉草酸シンナミル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C14H18O2
Molecular formula furigana： C14-H18-O2
Molecular weight： 218.296
InChI： InChI=1S/C14H18O2/c1-12(2)11-14(15)16-10-6-9-13-7-4-3-5-8-13/h3-9,12H,10-11H2,1-2H3
InChI key： FOCMOGKCPPTERB-UHFFFAOYSA-N
SMILES： CC(C)CC(=O)OCC=Cc1ccccc1
Systematic name  (5)：
  • イソ吉草酸3-フェニル-2-プロペニル
  • イソ吉草酸3-フェニルアリル
  • 3-メチル酪酸3-フェニル-2-プロペニル
  • 3-フェニルプロパ-2-エン-1-イル 3-メチルブタノアート
  • 3-phenylprop-2-en-1-yl 3-methylbutanoate
Other name (4)：
  • Isovaleric acid 3-phenyl-2-propenyl ester
  • Isovaleric acid 3-phenylallyl ester
  • 3-Methylbutyric acid 3-phenyl-2-propenyl ester
  • イソ吉草酸シンナミル
CAS registry number： 140-27-2
Regulation number (3)：
  • EINECS2054079
  • TSCA(140-27-2)
  • (3)-1043
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