Basic information
- CAS
32123-84-5- Standard SMILES
C=C(C(C)=O)c1ccccc1- InChIKey
FEZMTSUOSTXNBJ-UHFFFAOYSA-N- Molecular formula
- C10H10O
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.07316494
Names & identifiers
- Preferred name
- 3-Phenyl-3-buten-2-one
- IUPAC
- 3-phenylbut-3-en-2-one
- English name
- Methyl(α-methylenebenzyl) ketone
- Molecular formula
- C10H10O
- Molecular weight
- 146.19
Names & synonyms
3-Phenyl-3-buten-2-one32123-84-5DTXSID70315032RefChem:1068480DTXCID102661553-phenylbut-3-en-2-one3-Buten-2-one, 3-phenyl-NSC2913063-Phenyl-but-3-en-2-one3-Phenyl-3-buten-2-one #SCHEMBL3337020SCHEMBL10622696
Show more names
Methyl(α-methylenebenzyl) ketone
NSC-291306DB-339491
Database identifiers
- CAS
32123-84-5- PubChem CID
- 324797
- DTXSID
DTXSID70315032- Nikkaji
- J426.339A
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 54 · 54-55 °C(Press: 0.8 Torr)
- Density
- 0.981 · 0.981±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
Uses3-Phenyl-3-buten-2-one is used as odorant, for masking, scenting, and odorization of hydrocarbon oils, fuels, and petroleum products.
Suppliers3 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
3 records
Compound notes
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