Chem
J-GLOBAL ID:200907050024538670   Nikkaji number:J429.419J

3,3-Dimethylbutyric acid benzyl ester

3,3-ジメチル酪酸ベンジル
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/c1-13(2,3)9-12(14)15-10-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3
InChI key: WLTKXQISYPBOSS-UHFFFAOYSA-N
SMILES: CC(C)(C)CC(=O)OCc1ccccc1
Systematic name  (4):
  • 3,3-ジメチルブタン酸フェニルメチル
  • 3,3-ジメチル酪酸ベンジル
  • ベンジル 3,3-ジメチルブタノアート
  • benzyl 3,3-dimethylbutanoate
Other name (2):
  • 3,3-Dimethylbutanoic acid phenylmethyl ester
  • 3,3-Dimethylbutyric acid benzyl ester
CAS registry number: 61066-88-4
Regulation number (3):
  • TSCA(61066-88-4)
  • (3)-1020
  • (3)-1045
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