[(1Z)-2-phenylprop-1-en-1-yl]benzene

• ChemBase ID: 146471
• Molecular Formular: C15H14
• Molecular Mass: 194.27166
• Monoisotopic Mass: 194.10955045
• SMILES: C/C(=C/c1ccccc1)/c1ccccc1
• Canonical SMILES: C/C(=C/c1ccccc1)/c1ccccc1
• InChI: InChI=1S/C15H14/c1-13(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-12H,1H3/b13-12-
• InChIKey: OVZXISBUYCEVEV-SEYXRHQNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1Z)-2-phenylprop-1-en-1-yl]benzene
• IUPAC Traditional name: [(1Z)-2-phenylprop-1-en-1-yl]benzene
• Synonyms: trans-α-Methylstilbene; 反式-α-甲基均二苯乙烯

Database IDs

• CAS Number: 833-81-8
• MDL Number: MFCD00026343
• PubChem SID: 24856539; 162240667
• PubChem CID: 1224115

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6124816
• LogD (pH = 7.4): 4.6124816
• Log P: 4.6124816
• Molar Refractivity: 65.7948 cm^3
• Polarizability: 25.520435 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 81-83 °C(lit.)
• Boiling Point: 285-286 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99%
• Linear Formula: C6H5C(CH3)=CHC6H5

DETAILS

Sigma Aldrich - 273406

Packaging
5 g in glass bottle