2-[(2-hydroxyphenyl)methyl]phenol

• ChemBase ID: 106768
• Molecular Formular: C13H12O2
• Molecular Mass: 200.23318
• Monoisotopic Mass: 200.08372962
• SMILES: Oc1ccccc1Cc1ccccc1O
• Canonical SMILES: Oc1ccccc1Cc1ccccc1O
• InChI: InChI=1S/C13H12O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8,14-15H,9H2
• InChIKey: MQCPOLNSJCWPGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-hydroxyphenyl)methyl]phenol
• IUPAC Traditional name: bisphenol F
• Synonyms: 2,2′-Methylenediphenol; Bis(2-hydroxyphenyl)methane; bis(2-HYDROXYPHENYL)METHANE; 2,2′-亚甲基双苯酚; 双(2-羟苯基)甲烷

Database IDs

• CAS Number: 2467-02-9
• EC Number: 219-578-2
• MDL Number: MFCD00002243
• PubChem SID: 24891800; 162092946
• PubChem CID: 75575

CALCULATED PROPERTIES

• Acid pKa: 8.249371
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.457141
• LogD (pH = 7.4): 3.400695
• Log P: 3.457909
• Molar Refractivity: 59.757 cm^3
• Polarizability: 22.903454 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 113-118 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 98%
• Linear Formula: CH2(C6H4OH)2

DETAILS

MP Biomedicals - 05201363

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 476110

Packaging
10 g in glass bottle

Sigma Aldrich - B46808

Packaging
1, 10 g in glass bottle