m-Methylallylbenzene
Basic information
- CAS
1560-06-1- Standard SMILES
CC=CCc1ccccc1- InChIKey
VUKHQPGJNTXTPY-UHFFFAOYSA-N- Molecular formula
- C10H12
- Average molar mass
- 132.2 g/mol
- Monoisotopic mass
- 132.09390038
Overview
1-butenylbenzene has been reported in Thymus longicaulis, Thymus sibthorpii, and Ligusticum grayi with data available.
Names & identifiers
- Preferred name
- m-Methylallylbenzene
- IUPAC
- but-2-enylbenzene
- English name
- 1-Phenyl-2-butene
- Molecular formula
- C10H12
- Molecular weight
- 132.2
Names & synonyms
but-2-enylbenzenem-methylallylbenzeneRefChem:1088685Isocrotylbenzeness-Butenylbenzol(but-2-en-1-yl)benzeneNCIOpen2_000267SCHEMBL40701SCHEMBL93627SCHEMBL95186SCHEMBL482877SCHEMBL2657529
Show more names
(E)-but-2-en-1-ylbenzeneNsc65602Wln: 2U2r1-Phenylbutene-21-phenyl-2-buten2-butenylbenzene2-butenyl-benzen4-Phenyl-2-butene1-phenylbut-2-ene1-Phenyl-2-butene
SCHEMBL3032443SCHEMBL3042520SCHEMBL3042523SCHEMBL3821231SCHEMBL6608385SCHEMBL8727861SCHEMBL11349290SCHEMBL27298897
Database identifiers
- CAS
1560-06-1- PubChem CID
- 15263
- DTXSID
DTXSID50862433
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 96.6
Physicochemical properties
- Melting point
- -41.43 °C · -41.43°C (estimate)
- Boiling point
- 176.05 °C · 176.05°C
- Density
- 0.8831 · 0.8831
- refractive index
- 1.5101 · 1.5101
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 UF46BAB8U · 7UF46BAB8U
Related reactions
1 records
Compound notes
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