4-Allyltoluene - CAS 3333-13-9

Catalog:	BB021665
Product Name:	4-Allyltoluene
CAS:	3333-13-9
Synonyms:	1-methyl-4-prop-2-enylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-methyl-4-prop-2-enylbenzene
Description:	4-Allyltoluene (CAS# 3333-13-9 ) is a useful research chemical.
Molecular Weight:	132.20
Molecular Formula:	C10H12
Canonical SMILES:	CC1=CC=C(C=C1)CC=C
InChI:	InChI=1S/C10H12/c1-3-4-10-7-5-9(2)6-8-10/h3,5-8H,1,4H2,2H3
InChI Key:	WAEOXIOXMKNFLQ-UHFFFAOYSA-N
Boiling Point:	182.7 °C at 760 mmHg
Density:	0.88 g/cm³
LogP:	2.72350

Publication Number	Title	Priority Date
CN-112574056-A	Synthetic method of alpha, alpha-difluoro-gamma-hydroxyacetamide derivative	20201228
KR-20210106364-A	Resin composition	20200220
US-2021261768-A1	Resin composition	20200220
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

PMID	Publication Date	Title	Journal
20354619	20100421	Palladium complexes with a tridentate PNO ligand. Synthesis of eta1-allyl complexes and cross-coupling reactions promoted by boron compounds	Dalton transactions (Cambridge, England : 2003)
18154001	20071001	Rapid determination of volatile constituents in safflower by microwave distillation and simultaneous solid-phase microextraction coupled with gas chromatography-mass spectrometry	Annali di chimica

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GHS Hazard Statement:	H226 (60.32%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P310, P301+P312, P303+P361+P353, P330, P331, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	96.6
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