Chem
J-GLOBAL ID：200907098849465139
Nikkaji number：J205.280F
3,3-Dimethylbutanal
3,3-ジメチルブタナール
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： C6H12O
Molecular formula furigana： C6-H12-O
Molecular weight： 100.161
InChI：
InChI=1S/C6H12O/c1-6(2,3)4-5-7/h5H,4H2,1-3H3
InChI key：
LTNUSYNQZJZUSY-UHFFFAOYSA-N
SMILES：
CC(C)(C)CC=O
Systematic name (4)：
- 3,3-ジメチルブタン-1-オン
- 3,3-ジメチルブチルアルデヒド
- 3,3-ジメチルブタナール
- 3,3-dimethylbutanal
- 3,3-Dimethylbutanal
- 3,3-Dimethylbutan-1-one
- 3,3-Dimethylbutyraldehyde
Regulation number (2)：
- EINECS2210543
- (2)-494
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