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allylbenzene
Sign in to saveAlso known as prop-2-enylbenzene, 1-phenylprop-2-ene
Allylbenzene or 3-phenylpropene is an organic compound with the formula C6H5CH2CH=CH2. It is a colorless liquid. The compound consists of a phenyl group attached to an allyl group. Allylbenzene isomerizes to trans-propenylbenzene.
Chemical data
- Formula
- C9H10
- Molecular weight
- 118.18 g/mol
- IUPAC name
- prop-2-enylbenzene
- SMILES
- C=CCC1=CC=CC=C1
- InChIKey
- HJWLCRVIBGQPNF-UHFFFAOYSA-N
- XLogP
- 3.2
- Polar surface area
- 0 Ų
- H-bond donors
- 0
- H-bond acceptors
- 0
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Mass
- 118.07825
Show 5 more facts
- chemical formula
- C₉H₁₀
- canonical SMILES
- C=CCC1=CC=CC=C1
- melting point
- -50.0
- Commons category
- Allylbenzene
- found in taxon
- Alpinia officinarum
Sources (2)
via Wikidata · CC0
~1 min read
Encyclopedic overview
2 sectionsContents
- References
- External links
Allylbenzene or 3-phenylpropene is an organic compound with the formula C6H5CH2CH=CH2. It is a colorless liquid. The compound consists of a phenyl group attached to an allyl group. Allylbenzene isomerizes to trans-propenylbenzene.
In plant biochemistry, the allylbenzene skeleton is the parent (simplest representation) of many phenylpropanoids. Known allylbenzenes include eugenol, safrole, elemicin, myristicin, apiole, dillapiole, chavicol, sarisan, croweacin, osmorhizole, exalatacin, chavibetol, asarone and many others.
Excerpted from Wikipedia’s “allylbenzene” article, available under the CC BY-SA 4.0 licence.