1-Allyl-2-methylbenzene

HCID 15317

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Basic information

CAS: 1587-04-8
Standard SMILES: C=CCc1ccccc1C
InChIKey: SVIHJJUMPAUQNO-UHFFFAOYSA-N
Molecular formula: C10H12
Average molar mass: 132.2 g/mol
Monoisotopic mass: 132.09390038

Overview

Benzene, 1-methyl-2-(2-propen-1-yl)- has been reported in Etlingera elatior with data available.

Names & identifiers

Preferred name: 1-Allyl-2-methylbenzene
IUPAC: 1-methyl-2-prop-2-enylbenzene
English name: 1-Allyl-2-methylbenzene
Molecular formula: C10H12
Molecular weight: 132.2

Names & synonyms

1-Allyl-2-methylbenzene1-methyl-2-prop-2-enylbenzeneRefChem:429084624-280-41587-04-82-AllyltolueneToluene, o-allyl-Benzene, 1-methyl-2-(2-propenyl)-Benzene, 1-methyl-2-(2-propen-1-yl)-O-ALLYLTOLUENEMFCD000609111-methyl-2-(prop-2-en-1-yl)benzene

Show more names

1-Allyl-2-methylbenzene 97%1-methyl-2-prop-2-enyl-benzeneBENZENE,1-METHYL-2-(2-PROPENY)1-Allyl-2-methylbenzene, 1-Methyl-2-(prop-2-en-1-yl)benzene

1-Methyl-2-(2-propenyl)benzeneallyltoluene2-Allyl-1-methylbenzene3-(2-methylphenyl)-1-propeneNSC-73972AS-62580CS-0198962EN300-698337

Database identifiers

CAS: 1587-04-8
PubChem CID: 15317
DTXSID: DTXSID4074697
UNII: 3VV89B29FB
EC Number: 624-280-4
Nikkaji: J100.443C

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 105

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: -41.43 °C · -41.43°C (estimate)
Boiling point: 174.85 °C · 174.85°C
Density: 0.895 g/mL · 0.895 g/mL at 25 °C
refractive index: 20 · n20/D1.517
Flash point: 54 ℃ · 54℃
storage temp.: Inert atmosphere,Room Temperature
form: liquid
color: Clear, almost colourless
InChI: 1S/C10H12/c1-3-6-10-8-5-4-7-9(10)2/h3-5,7-8H,1,6H2,2H3
InChIKey: SVIHJJUMPAUQNO-UHFFFAOYSA-N
SMILES: Cc1ccccc1CC=C
EPA Substance Registry System: 1 · Benzene, 1-methyl-2-(2-propen-1-yl)- (1587-04-8)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P303+P361+P353, P305+P354+P338, P317, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
hs_code: 2902900000
risk_code: 10-22-41
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS07
hazard_code: T,Xn
safety_code: 26-39
Storage Class: 3 - Flammable liquids
Hazard statements: H226-H302-H318
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3
Precautionary statements: P210-P233-P240-P280-P301+P312-P305+P351+P338

Chemistry & industry

Suppliers27 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Syntechem Co.,Ltd[email protected]

Related reactions

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Compound notes

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