(2-methyl-3-phenylphenyl)methanol

• ChemBase ID: 138402
• Molecular Formular: C14H14O
• Molecular Mass: 198.26036
• Monoisotopic Mass: 198.10446507
• SMILES: Cc1c(cccc1c1ccccc1)CO
• Canonical SMILES: OCc1cccc(c1C)c1ccccc1
• InChI: InChI=1S/C14H14O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3
• InChIKey: BGTLHJPGBIVQLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methyl-3-phenylphenyl)methanol
• IUPAC Traditional name: (2-methyl-3-phenylphenyl)methanol
• Synonyms: (2-Methyl-[1,1'-biphenyl]-3-yl)methanol; 2-Methyl-3-biphenylmethanol; 2-Methyl-[1,1'-biphenyl]-3-methanol; 2-Methyl-3-phenylbenzyl Alcohol; 2-Methylbiphenyl-3-ylmethanol; 3-Hydroxymethyl-2-methylbiphenyl; 2-Methyl-3-biphenylmethanol; 2-甲基-3-羟甲基联苯

Database IDs

• CAS Number: 76350-90-8
• MDL Number: MFCD00134200
• PubChem SID: 24862242; 162232658
• PubChem CID: 596875

CALCULATED PROPERTIES

• Acid pKa: 14.989897
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3665428
• LogD (pH = 7.4): 3.3665428
• Log P: 3.3665428
• Molar Refractivity: 63.0513 cm^3
• Polarizability: 25.631832 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: White Solid
• Melting Point: 73-76 °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: 95+%; 97%
• Linear Formula: C6H5C6H3(CH3)CH2OH

DETAILS

Sigma Aldrich - 361631

Packaging
50 g in glass bottle

Toronto Research Chemicals - M294130

Bifenthrin intermediate.

REFERENCES

• Hamed, M., et al.: J. Econ. Entomol., 81, 1295 (1988)
• Ruzo, Luis O., et al.: J. Agric. Food Chem., 36, 1040 (1988)