4-[(4-hydroxyphenyl)methyl]phenol

• ChemBase ID: 109717
• Molecular Formular: C13H12O2
• Molecular Mass: 200.23318
• Monoisotopic Mass: 200.08372962
• SMILES: Oc1ccc(Cc2ccc(O)cc2)cc1
• Canonical SMILES: Oc1ccc(cc1)Cc1ccc(cc1)O
• InChI: InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2
• InChIKey: PXKLMJQFEQBVLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4-hydroxyphenyl)methyl]phenol
• IUPAC Traditional name: HDM; bis(4-hydroxyphenyl)methane
• Synonyms: bis(4-HYDROXYPHENYL)METHANE; 4,4′-Methylenediphenol; Bisphenol F; Bis(4-hydroxyphenyl)methane; 4,4'-Dihydroxydiphenylmethane; 1,1-Bis(4-hydroxyphenyl)methane; 4,4'-Bis(hydroxyphenyl)methane; 4,4'-Dihydroxydiphenylmethane; 4,4'-Methylenebis[phenol]; 4,4'-Methylenediphenol; Bis(p-hydroxyphenyl)methane; Bis(4-hydroxyphenyl)methane; HDM; NSC 401136; PP-BIP-F; p,p'-BPF; p-(p-Hydroxybenzyl)phenol; Bisphenol F; Bis-(4-hydroxyphenyl)methane; 4,4′-Methylenediphenol; 4,4′-亚甲基双苯酚; 双酚 F; 双(4-羟苯基)甲烷; 4,4'-二羟基二苯基甲烷; 双(对羟苯基)甲烷; 4,4′-二羟基二苯甲烷

Database IDs

• CAS Number: 620-92-8
• EC Number: 210-658-2
• MDL Number: MFCD00002385
• Beilstein Number: 2049425
• PubChem SID: 24848944; 24891698; 162089317
• PubChem CID: 12111

CALCULATED PROPERTIES

• Acid pKa: 9.839896
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.4578896
• LogD (pH = 7.4): 3.4563425
• Log P: 3.457909
• Molar Refractivity: 59.757 cm^3
• Polarizability: 22.901043 Å^3
• Polar Surface Area: 40.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159-163°C; 162-164 °C; 162-164 °C(lit.)

Safety Information

• RTECS: SL9625000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H303
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (HPLC); 98%
• Grade: purum
• Linear Formula: CH2(C6H4OH)2
• Empirical Formula (Hill Notation): C13H12O2

DETAILS

MP Biomedicals - 05212316

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B47006

Packaging
1 g in glass bottle

Toronto Research Chemicals - B519555

Bisphenol F is a bisphenol derivative with antioxidant activities. Bisphenol F has been reported to exhibit estrogen agonistic properties.

REFERENCES

• Higashihara, N. et al.: Arch. Toxicol., 81, 825 (2007)
• Kanai, H. et al.: Int. J. Cancer, 93, 20 (2007)
• Pospisil, J. et al.: Kinet. Mech. Polyreacti.Int. Symp. Macromol. Chem. Prepr.,5, 383 (2007)