Chem
J-GLOBAL ID：200907094467880998
Nikkaji number：J36.973J
p-Tolyl=isobutyrate
イソ酪酸p-クレシル
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
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
Molecular formula： C11H14O2
Molecular formula furigana： C11-H14-O2
Molecular weight： 178.231
InChI：
InChI=1S/C11H14O2/c1-8(2)11(12)13-10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChI key：
UPPSFGGDKACIKP-UHFFFAOYSA-N
SMILES：
CC(C)C(=O)Oc1ccc(C)cc1
Systematic name (6)：
- p-トリル=イソブチラート
- イソ酪酸4-メチルフェニル
- 2-メチルプロピオン酸p-トリル
- イソ酪酸p-トリル
- 4-メチルフェニル 2-メチルプロパノアート
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- p-クレシルイソブチラート
- p-Cresyl isobutyrate
- イソ酪酸p-クレシル
- Isobutyric acid p-tolyl ester
- Isobutyric acid 4-methylphenyl ester
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Regulation number (3)：
- NQ5460000
- EINECS2031596
- TSCA(103-93-5)
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