2,4,6-Trimethylstyrene

HCID 13036

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Basic information

CAS: 769-25-5
Standard SMILES: C=Cc1c(C)cc(C)cc1C
InChIKey: PDELBHCVXBSVPJ-UHFFFAOYSA-N
Molecular formula: C11H14
Average molar mass: 146.23 g/mol
Monoisotopic mass: 146.10955045

Overview

Names & identifiers

Preferred name: 2,4,6-Trimethylstyrene
IUPAC: 2-ethenyl-1,3,5-trimethylbenzene
English name: 2,4,6-TRIMETHYLSTYRENE
Molecular formula: C11H14
Molecular weight: 146.23

Names & synonyms

2,4,6-TRIMETHYLSTYRENEVinylmesitylene2-VinylmesityleneMesitylethyleneBenzene, 2-ethenyl-1,3,5-trimethyl-UNII-89FV7YQ87189FV7YQ871EINECS 212-205-4NSC-51012DTXSID20227691NSC 51012RefChem:6731

Show more names

styrene,2,4,6-trimethyl-2,4,6-TriMethylstyrene 1,3,5-TRIMETHYL-2-VINYLBENZENE1-ethenyl-2,4,6-trimethylbenzene

DTXCID70150182212-205-4769-25-51,3,5-Trimethyl-2-vinylbenzene2-ethenyl-1,3,5-trimethylbenzeneMFCD000086131,3,5-Trimethyl-2-vinyl-benzeneStyrene, 2,4,6-trimethyl-

Database identifiers

CAS: 769-25-5
PubChem CID: 13036
DTXSID: DTXSID20227691
UNII: 89FV7YQ871
EC Number: 212-205-4
Nikkaji: J150.369C

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 125

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: -37 °C · -37°C
Boiling point: 209 °C · 209 °C (lit.)
Density: 0.906 g/mL · 0.906 g/mL at 25 °C (lit.)
refractive index: 1.532 · 1.5320
Flash point: 75 °C · 75°C
storage temp.: 2 · 2-8°C
solubility: Soluble in methanol.
form: clear liquid
color: Colorless to Light yellow
BRN: 1904365 · 1904365
InChI: InChI=1S/C11H14/c1-5-11-9(3)6-8(2)7-10(11)4/h5-7H,1H2,2-4H3
InChIKey: PDELBHCVXBSVPJ-UHFFFAOYSA-N
SMILES: C1(C)=CC(C)=CC(C)=C1C=C
CAS DataBase Reference: 769 · 769-25-5(CAS DataBase Reference)
FDA UNII: 89 FV7YQ871 · 89FV7YQ871
UNSPSC Code: 12162002 · 12162002
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332
Precautionary statements: 261 · P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22
Safety Statements: 23 · 23-36/37/39
WGK Germany: 3 · 3
HS Code: 2902.9 · 2902.90.3050
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (88.9%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 2902.90.3050
risk_code: 20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 23-36/37/39
Storage Class: 10 - Combustible liquids
Hazard statements: H302+H312+H332
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
Precautionary statements: P261-P264-P280-P301+P312-P302+P352+P312-P304+P340+P312