2-phenylphenol

• ChemBase ID: 89396
• Molecular Formular: C12H10O
• Molecular Mass: 170.2072
• Monoisotopic Mass: 170.07316494
• SMILES: Oc1c(cccc1)c1ccccc1
• Canonical SMILES: Oc1ccccc1c1ccccc1
• InChI: InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H
• InChIKey: LLEMOWNGBBNAJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylphenol
• IUPAC Traditional name: o-phenylphenol
• Synonyms: Biphenyl-2-ol; 2-Phenylphenol; o-HYDROXYBIPHENYL; 2-HYDROXYDIPHENYL; o-phenylphenol; biphenylol; 2-hydroxybiphenyl; orthophenyl phenol; o-xenol; orthoxenol; 2-Phenylphenol; [1,1'-biphenyl]-2-ol; 2-Phenylphenol; 2-Hydroxybiphenyl; o-Phenylphenol; 2-Biphenylol; 2-HYDROXYDIPHENYL; o-HYDROXYBIPHENYL; 2-羟基联苯; 2-苯基苯酚

Database IDs

• CAS Number: 90-43-7
• EC Number: 201-993-5
• MDL Number: MFCD00002208
• Beilstein Number: 606907
• Merck Index: 147304
• PubChem SID: 24901953; 24898365; 24899228; 24869050; 162076276; 24878943
• PubChem CID: 7017
• CHEBI ID: 17043
• ATC CODE: D08AE06
• CHEMBL: 108829
• Chemspider ID: 13839012
• FEMA ID: 3959
• KEGG ID: D08367
• Unique Ingredient Identifier: D343Z75HT8
• Wikipedia Title: 2-Phenylphenol
• E Number: E232

CALCULATED PROPERTIES

• Acid pKa: 9.694701
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3168783
• LogD (pH = 7.4): 3.3147213
• Log P: 3.316906
• Molar Refractivity: 53.1751 cm^3
• Polarizability: 22.017588 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 54-58°C; 54-59°C; 56 - 58 °C; 56°C; 56-59 °C; 57.5 - 55.5°C; 57-59 °C(lit.)
• Boiling Point: 152-154°C/15mm; 282 °C(lit.); 282-287°C; 284 - 280°C; 286 °C at 1013 hPa; 286°C
• Flash Point: 124 °C; 124°C; 124°C(255°F); 138 °C (closed cup and DIN 51758); 255.2 °F
• Auto Ignition Point: 530 °C (986 °F)
• Density: 1.26 g/cm^3 at 20 °C; 1.26g/ml; 1.293; 1.293 g/cm3
• Vapor Pressure: .0007 hPa at 20 °C; 7 mmHg ( 140 °C)
• Fluorescence: λex 231 nm; λem 356 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Hygroscopic; Irritant/Store under Argon
• RTECS: DV5775000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077; UN3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3; III
• Risk Statements: 36/37/38-50; R:36/38
• Safety Statements: 22-61; S:22
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H400; H400-H302-H315-H319-H335-H313
• GHS Precautionary statements: P261-P273-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥98.0% (GC); ≥99%; 97%; 98%; 99%
• Grade: analytical standard; PESTANAL®, analytical standard; purum
• Packaging: ampule of 1000 mg
• Linear Formula: C6H5C6H4OH

DETAILS

MP Biomedicals - 02195226

Crystalline
Inhibitor of deoxyribonuclease.

MP Biomedicals - 05203624

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W395900

Packaging
1 kg in poly bottle
1 sample in glass bottle
5, 10 kg in fiber drum

Sigma Aldrich - P28263

Packaging
2 kg in poly bottle
500 g in poly bottle

Sigma Aldrich - 54890

Other Notes
Reagent for the fluorometric determination of trioses1

Sigma Aldrich - 45529

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

REFERENCES

• Biochem. Biophys. Acta , 288 : 365, (1971).