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4-Allyltoluene

4-Allyltoluene structure

CAS No:
3333-13-9
Formula:
C10H12
Chemical Name:
4-Allyltoluene
Synonyms:
Benzene,1-methyl-4-(2-propen-1-yl)-;Toluene,p-allyl-;Benzene,1-methyl-4-(2-propenyl)-;1-Methyl-4-(2-propen-1-yl)benzene;p-Allyltoluene;1-Allyl-4-methylbenzene;3-p-Tolylpropene;p-Methylallylbenzene;4-Allyltoluene;4-Methyl-1-allylbenzene;NSC 73971;4-Methyl(allyl)benzene;3-(4-Methylphenyl)-1-propene;1-(4-Methylphenyl)-2-propene;1-Methyl-4-allyl benzene;1-Methyl-4-(2-propenyl)benzene
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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4-Allyltoluene Basic Attributes

Molecular Weight：

132.2

Exact Mass：

132.20

EC Number：

222-063-5

UNII：

8YYQ7W3Z76

NSC Number：

73971

DSSTox ID：

DTXSID4062983

HScode：

2902909090

Characteristics

PSA：

XLogP3：

2.72350

Density：

1.5082 g/cm³ @ Temp: 20 °C

Melting Point：

240 °C

Boiling Point：

58-60 °C

Flash Point：

54°C

Refractive Index：

1.511

Safety Information

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

10-22

Marks：

T,Xn

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P310, P301+P312, P303+P361+P353, P330, P331, P370+P378, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (60.32%): Flammable liquid and vapor [Warning Flammable liquids]|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|Aggregated GHS information provided by 63 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-isopropenyltoluene

4-Allyltoluene Use and Manufacturing

Manufacturing Info：

Benzene, 1-methyl-4-(2-propen-1-yl)-: INACTIVE

Computed Properties

Molecular Weight:132.20
XLogP3:3.4
Rotatable Bond Count:2
Exact Mass:132.093900383
Monoisotopic Mass:132.093900383
Heavy Atom Count:10
Complexity:96.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes