2-ethenyl-1,4-dimethylbenzene

• ChemBase ID: 90048
• Molecular Formular: C10H12
• Molecular Mass: 132.20228
• Monoisotopic Mass: 132.09390038
• SMILES: C=Cc1c(ccc(c1)C)C
• Canonical SMILES: C=Cc1cc(C)ccc1C
• InChI: InChI=1S/C10H12/c1-4-10-7-8(2)5-6-9(10)3/h4-7H,1H2,2-3H3
• InChIKey: DBWWINQJTZYDFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethenyl-1,4-dimethylbenzene
• IUPAC Traditional name: styrene, 2,5-dimethyl-
• Synonyms: 2,5-Dimethylstyrene; 2,5-Dimethylstyrene 97%; 2,5-二甲基苯乙烯

Database IDs

• CAS Number: 2039-89-6
• EC Number: 218-028-9
• MDL Number: MFCD00008614
• Beilstein Number: 2203656
• PubChem SID: 162076903; 24862020
• PubChem CID: 16265

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: 17.47213 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -35 °C(lit.); -35°C; -35°C
• Boiling Point: 71-72 °C/10 mmHg(lit.); 71-72°C/10mm; 83-84°C/24mm
• Flash Point: 147.2 °F; 63°C(145°F); 64 °C
• Density: 0.904; 0.904 g/mL at 25 °C(lit.)
• Refractive Index: 1.5390; n20/D 1.539(lit.)

Safety Information

• Storage Warning: Irritant/Keep Cold
• RTECS: WL4460000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-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
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%, stab. with 4-tert-butylcatechol; 98%
• Contains: 500 ppm tert-Butylcatechol as stabilizer
• Linear Formula: (CH3)2C6H3CH=CH2

DETAILS

Apollo Scientific Ltd - OR5826

Stabilised with 4-tert-Butylcatechol

Sigma Aldrich - 361135

Packaging
5 g in glass bottle