O,alpha-dimethylstyrene

HCID 81886

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Basic information

CAS: 26444-18-8
Standard SMILES: C=C(C)c1ccccc1C
InChIKey: OGMSGZZPTQNTIK-UHFFFAOYSA-N
Molecular formula: C10H12
Average molar mass: 132.2 g/mol
Monoisotopic mass: 132.09390038

Overview

o,alpha-Dimethylstyrene has been reported in Punica granatum and Chrysanthemum morifolium with data available.

Names & identifiers

Preferred name: O,alpha-dimethylstyrene
IUPAC: 1-methyl-2-prop-1-en-2-ylbenzene
English name: 2-Isopropenyltoluene
Molecular formula: C10H12
Molecular weight: 132.2

Names & synonyms

2-Isopropenyltoluene7399-49-7o-Isopropenyltolueneo,alpha-Dimethylstyrene1-methyl-2-prop-1-en-2-ylbenzeneBenzene, 1-methyl-2-(1-methylethenyl)-C7WB5C8JTREINECS 230-996-4NSC-54362DTXSID202247812-(1-METHYLETHENYL)TOLUENENSC 54362

Show more names

Cymeneneα,2-Dimethylstyreneα,2-dimethylstyrenear,α-dimethyl-styreneALPHA,2-DIMETHYLSTYRENEɑ,2-Dimethylstyrene, 99%^a,2-Dimethylstyrene, 99%

1-METHYL-2-(1-METHYLETHENYL)BENZENERefChem:854999DTXCID50147272230-996-41-Methyl-2-(prop-1-en-2-yl)benzene26444-18-8Benzene, methyl(1-methylethenyl)-isopropenyltoluene

Database identifiers

CAS: 26444-18-8、7399-49-7
PubChem CID: 81886
DTXSID: DTXSID20224781
UNII: C7WB5C8JTR
EC Number: 230-996-4、621-906-8
Nikkaji: J91.270K

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 124

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: -59.27 °C · -59.27°C (estimate)
Boiling point: 54 °C11 · 54 °C11 mm Hg(lit.)
Density: 0.894 g/mL · 0.894 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.515(lit.)
Flash point: 110 °F · 110 °F
LogP: 3.782 · 3.782 (est)
Symbol(GHS): 2 · GHS02,GHS07
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 3295 · UN 3295 3/PG 3
WGK Germany: 3 · 3
HazardClass: 3 · 3
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

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

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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

Hazard information

Hazard Classes and Categories · 2 items

Flam. Liq. 3 (100%)

Safety data

wgk: 3
ridadr: UN 3295 3/PG 3
risk_code: 36/37/38
Symbol(GHS): GHS02,GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: 3
packing_group: III
Hazard statements: H226-H315-H319-H335
Precautionary statements: P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a