2-Phenylphenol - Materials / Alfa Chemistry

NAVIGATION

2-Phenylphenol

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Catalog Number

ACMA00017290

Product Name

2-Phenylphenol

Category

Polymers

Description

2-phenylphenol appears as light lavender crystals or solid. (NTP, 1992);Solid;WHITE CRYSTALS.;White to light purple crystals

IUPAC Name

2-phenylphenol

Molecular Weight

170.21g/mol

Molecular Formula

C12H10O;C6H5C6H4OH;C12H10O

Canonical SMILES

C1=CC=C(C=C1)C2=CC=CC=C2O

InChI

InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H

InChI Key

LLEMOWNGBBNAJR-UHFFFAOYSA-N

Boiling Point

527 °F at 760 mm Hg (NTP, 1992);286.0 °C;286 °C;286 °C

Melting Point

131.9 to 135.5 °F (NTP, 1992);59.0 °C;59 °C;56°C;58-60 °C

Flash Point

255 °F (NTP, 1992);Value: 138 degree C Type: closed cup;124 °C c.c.

Density

1.213 at 77 °F (NTP, 1992);1.213 g/cu cm at 25 °C;Relative density (water = 1): 1.2

Solubility

less than 0.1 mg/mL at 68.9° F (NTP, 1992);0.00 M;Soluble in fixed alkali hydroxide solutions and most organic solvents.;Soluble in sodium hydroxide;Soluble in ethanol, acetone, benzene, chloroform, and ligroin; very soluble in ethyl ether and pyridine.;Sol in most organic solvents, including ethanol, ethylene glycol, isopropanol, glycolethers, and polyglycols.;At 20 °C, g/kg solvent: in methanol, 500; in acetone, 479; in acetonitrile, 532; in octanol, 529; in toluene, 466; in hexane 48.6;In water, 700 mg/L at 25 °C;0.7 mg/mL at 25 °C;Solubility in water, g/l at 20 °C: 0.2 (very poor);insoluble in water;moderately soluble (in ethanol)

Application

2-Phenylphenol serves primarily as an agricultural fungicide used to protect a variety of crops post-harvest, such as citrus fruits, apples, and tomatoes, from fungal diseases, as well as textiles and timber from decay. As a member of the hydroxybiphenyl class, it acts as an antifungal agent by inhibiting the growth of fungi, ensuring the longevity and integrity of stored produce. Additionally, it is incorporated into a range of applications due to its versatility in synthesizing new plastics, resins, and polymers, acting as a stabilizer and flame retardant. With its role extending beyond fungicidal properties, 2-Phenylphenol is also utilized as a disinfectant cleaner. Though it is highly soluble in water and moderately volatile, it is not expected to persist in the environment, and its selective action makes it favorable over other free phenols despite the potential for phytotoxic effects. This compound is recognized and registered for use in regions such as the U.S. and the U.K. for its efficacy and utility in both agricultural and industrial contexts.

Color/Form

Needles from petroleum ether;Colorless to pinkish crystals;White, flaky crystals

Complexity

149

Covalently-Bonded Unit Count

EC Number

201-993-5;262-974-5

Exact Mass

170.073165g/mol

Formal Charge

Heavy Atom Count

ICSC Number

0669

Log P

3.09 (LogP);log Kow = 3.09;3.09;3.2

MeSH Entry Terms

2-hydroxybiphenyl;2-hydroxydiphenyl;2-phenylphenol;2-phenylphenol sodium;Dowicide;Lyorthol;o-phenylphenate;o-phenylphenol;ortho-phenylphenate;orthophenylphenol;sodium o-phenylphenoate;sodium ortho-phenylphenate;sodium ortho-phenylphenol

Monoisotopic Mass

170.073165g/mol

NSC Number

1548

Odor

Mild characteristic odor;Sweetish odor;Phenolic odor

Other Experimental

FORMS SALTS OF WHICH THOSE OF THE ALKALI METALS ARE WATER-SOLUBLE; THE SODIUM SALT CRYSTALLIZES AS A TETRAHYDRATE, SOLUBILITY CIRCA 1.1 KG/KG WATER (35 °C), GIVING A SOLUTION OF PH 12.0-13.5.;VAPOR PRESSURE: 1 MM HG @ 100.0 °C;Vapor Pressure: 20 mm Hg at 163 °C; 100 mm Hg at 206 °C;o-Phenylphenol can be oxidized by air to form the corresponding phenylbenzoquinone [363- 03-1];Henry's Law constant = 1.05X10-6 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 2.7X10-11 cu cm/molec-sec at 25 °C (est)

Rotatable Bond Count

RTECS Number

DV5775000

Stability

Stable at normal conditions.

UNII

D343Z75HT8

UN Number

3077;3077

Vapor Pressure

1 mm Hg at 212 °F (NTP, 1992);0.00 mmHg;2.0X10-3 mm Hg at 25 °C;Vapor pressure, Pa at 20 °C: 0.07

XLogP3