1-Allyl-3-methylbenzene - CAS 3333-20-8

Catalog:	BB021667
Product Name:	1-Allyl-3-methylbenzene
CAS:	3333-20-8
Synonyms:	1-methyl-3-prop-2-enylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-methyl-3-prop-2-enylbenzene
Description:	1-Allyl-3-methylbenzene (CAS# 3333-20-8 ) is a useful research chemical.
Molecular Weight:	132.20
Molecular Formula:	C10H12
Canonical SMILES:	CC1=CC(=CC=C1)CC=C
InChI:	InChI=1S/C10H12/c1-3-5-10-7-4-6-9(2)8-10/h3-4,6-8H,1,5H2,2H3
InChI Key:	JVQAREFZPKBHPG-UHFFFAOYSA-N
Boiling Point:	182.1 °C at 760 mmHg
Density:	0.88 g/cm³
LogP:	2.72350

Publication Number	Title	Priority Date
CN-214203814-U	Liquid leakage prevention tab of soft package lithium ion battery cell	20201228
KR-20210079688-A	Allylarenes and a Method for Producing the Same	20191220
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
CN-110564755-A	Method for preparing (S) -3-phenyl-1, 2-epoxypropane and derivatives thereof by using biological enzyme catalysis	20190910
CN-110564755-B	Method for preparing (S) -3-phenyl-1, 2-epoxypropane and derivatives thereof by using biological enzyme catalysis	20190910

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P312, P303+P361+P353, P330, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.093900383
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	132.093900383
Rotatable Bond Count:	2
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4