(4-methyl-4-phenylpent-1-en-2-yl)benzene

• ChemBase ID: 139966
• Molecular Formular: C18H20
• Molecular Mass: 236.3514
• Monoisotopic Mass: 236.15650064
• SMILES: CC(C)(CC(=C)c1ccccc1)c1ccccc1
• Canonical SMILES: C=C(c1ccccc1)CC(c1ccccc1)(C)C
• InChI: InChI=1S/C18H20/c1-15(16-10-6-4-7-11-16)14-18(2,3)17-12-8-5-9-13-17/h4-13H,1,14H2,2-3H3
• InChIKey: ZOKCNEIWFQCSCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-methyl-4-phenylpent-1-en-2-yl)benzene
• IUPAC Traditional name: (4-methyl-4-phenylpent-1-en-2-yl)benzene
• Synonyms: α-Methylstyrene dimer; 2,4-Diphenyl-4-methyl-1-pentene; α-甲基苯乙烯二聚体; 2,4-二苯基-4-甲基-1-戊烯

Database IDs

• CAS Number: 6362-80-7
• EC Number: 228-846-8
• MDL Number: MFCD00044027
• PubChem SID: 24869797; 162234212
• PubChem CID: 80715

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.61935
• LogD (pH = 7.4): 5.61935
• Log P: 5.61935
• Molar Refractivity: 78.347 cm^3
• Polarizability: 30.89472 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 161 °C/5 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.99 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.569(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Linear Formula: C6H5C(CH3)2CH2C(C6H5)=CH2

DETAILS

Sigma Aldrich - 461040

Application
Chain transfer agent.CTA for styrene, ABS, SBR, and acrylics.
Packaging
100 mL in poly bottle
Features and Benefits
Odorless, does not cause discoloration.