Chem
J-GLOBAL ID：200907020400340529   Nikkaji number：J94.653B

Isovaleric acid phenethyl ester

イソ吉草酸フェネチル
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： C13H18O2
Molecular formula furigana： C13-H18-O2
Molecular weight： 206.285
InChI： InChI=1S/C13H18O2/c1-11(2)10-13(14)15-9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChI key： JIMGVOCOYZFDKB-UHFFFAOYSA-N
SMILES： CC(C)CC(=O)OCCc1ccccc1
Systematic name  (6)：
  • イソ吉草酸2-フェニルエチル
  • 3-メチル酪酸2-フェニルエチル
  • 3-メチルブタン酸2-フェニルエチル
  • イソ吉草酸フェネチル
  • 2-フェニルエチル 3-メチルブタノアート
Show all
Other name (2)：
  • 3-Methylbutanoic acid 2-phenylethyl ester
  • Isovaleric acid phenethyl ester
CAS registry number： 140-26-1
Regulation number (5)：
  • NY1511500
  • EINECS2054063
  • TSCA(140-26-1)
  • (3)-1040
  • (3)-1045
Thsaurus map：
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