Allylbenzene

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.^[3]

Quick facts Names, Identifiers ...

Allylbenzene

Names
Preferred IUPAC name (Prop-2-enyl)benzene[1]
Other names 3-Phenyl-1-propene; 2-Propenylbenzene
Identifiers
CAS Number	300-57-2
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL501879
ChemSpider	8950
ECHA InfoCard	100.005.542
EC Number	206-095-7
PubChem CID	9309
UNII	3VT7C9MEQ9 Y
CompTox Dashboard (EPA)	DTXSID00861855
InChI InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2 Key: HJWLCRVIBGQPNF-UHFFFAOYSA-N
SMILES C=CCC1=CC=CC=C1
Properties
Chemical formula	C9H10
Molar mass	118.179 g·mol−1
Appearance	Colorless liquid
Density	0.893 g/cm3
Melting point	−40 °C (−40 °F; 233 K)
Boiling point	156 °C (313 °F; 429 K)
Hazards
Occupational safety and health (OHS/OSH):
Main hazards	Flammable liquid and vapor, May be fatal if swallowed and enters airways
GHS labelling:
Pictograms	[2]
Signal word	Danger
Hazard statements	H226, H304[2]
Precautionary statements	P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, P501[2]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

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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.^[4]