1-ethenyl-2,4-dimethylbenzene

• ChemBase ID: 146100
• Molecular Formular: C10H12
• Molecular Mass: 132.20228
• Monoisotopic Mass: 132.09390038
• SMILES: Cc1ccc(c(c1)C)C=C
• Canonical SMILES: C=Cc1ccc(cc1C)C
• InChI: InChI=1S/C10H12/c1-4-10-6-5-8(2)7-9(10)3/h4-7H,1H2,2-3H3
• InChIKey: OEVVKKAVYQFQNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenyl-2,4-dimethylbenzene
• IUPAC Traditional name: styrene, 2,4-dimethyl-
• Synonyms: 2,4-Dimethylstyrene; 4-Vinyl-m-xylene; 2,4-二甲基苯乙烯

Database IDs

• CAS Number: 2234-20-0
• EC Number: 218-781-3
• MDL Number: MFCD00014937
• Beilstein Number: 2037627
• PubChem SID: 162240299; 24855881
• PubChem CID: 16694

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7367907
• LogD (pH = 7.4): 3.7367907
• Log P: 3.7367907
• Molar Refractivity: 45.8267 cm^3
• Polarizability: 17.472126 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -64 °C(lit.); -64°C
• Boiling Point: 69-71°C/11mm; 73-74 °C/10 mmHg(lit.)
• Flash Point: 140 °F; 60 °C; 60°C(140°F)
• Density: 0.904; 0.906 g/mL at 25 °C(lit.)
• Refractive Index: 1.5420; n20/D 1.543(lit.)

Safety Information

• RTECS: WL4450000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 3295; UN3295
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3295 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%; 97%, stab. with 4-tert-butylcatechol
• Contains: 100 ppm tert-butylcatechol as inhibitor
• Linear Formula: (CH3)2C6H3CH=CH2

DETAILS

Sigma Aldrich - 262633

Packaging
5 g in glass bottle