o-Cresol - Materials / Alfa Chemistry

NAVIGATION

o-Cresol

PRICE INQUIRY

Catalog Number

ACMA00017057

Product Name

o-Cresol

Category

Polymers

Description

O-cresol appears as colorless or yellow to brown-yellow or pinkish colored liquid with a phenol-like odor. Toxic by ingestion and/or skin absorption. May have a flash point between 100 and 199°F. Causes burns to skin, eyes and mucous membranes. Insoluble in water.;Liquid;Liquid; OtherSolid;Solid;Solid;COLOURLESS CRYSTALS WITH CHARACTERISTIC ODOUR. TURNS DARK ON EXPOSURE TO AIR AND LIGHT.;Colourless to pale brown crystals;White crystals with a sweet, tarry odor. [Note: A liquid above 88°F.]

IUPAC Name

2-methylphenol

Molecular Weight

108.14g/mol

Molecular Formula

C7H8O;CH3C6H4OH;C7H8O

Canonical SMILES

CC1=CC=CC=C1O

InChI

InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3

InChI Key

QWVGKYWNOKOFNN-UHFFFAOYSA-N

Boiling Point

376 °F at 760 mm Hg (EPA, 1998);191.0 °C;191.0 °C;191 °C;376°F

Melting Point

88 °F (EPA, 1998);29.8 °C;Mp 30 °;31.0 °C;29.8°C;31 °C;88°F

Flash Point

177.8 to 181.4 °F (EPA, 1998);81.0 °C (177.8 °F) - closed cup;178 °F (81 °C) (Closed cup);81 °C c.c.;178°F

Density

1.047 at 68 °F (EPA, 1998);d204 1.05;1.047 at 20 °C/4 °C;1.05 g/cm³;Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00;1.041-1.046;1.05

Solubility

less than 1 mg/mL at 66° F (NTP, 1992);0.24 M;25.9 mg/mL at 25 °C;In water, 2.59X10+4 mg/L at 25 °C;Soluble in about 40 parts water.;Miscible with ethanol, chloroform and ether. Soluble in solution of the fixed alkali hydroxides.;Miscible with acetone, benzene and carbon tetrachloride;Soluble in vegetable oils;25.9 mg/mL at 25 °C;Solubility in water, g/100ml at 25 °C: 2.5 (moderate);soluble in water;very soluble (in ethanol);2%

Application

o-Cresol serves primarily as an intermediate in the manufacturing of various industrial and pharmaceutical products, including pesticides, epoxy resins, dyes, and pharmaceuticals. It is also utilized in the composition of disinfectants and cleaning agents due to its phenolic properties. Beyond these applications, o-Cresol contributes to the production of antiseptics, solvents, insecticides, and flame-retardant plasticizers. Environmentally, it is noteworthy for being readily biodegradable with minimal potential for bioaccumulation or geoaccumulation, making it a relatively eco-friendly choice in its applications. Additionally, o-Cresol, a cresol where the phenol is substituted by a methyl group at position 2, is recognized as a minor urinary metabolite of toluene.

Color/Form

Crystals in liquid becoming dark with age and exposure to light and air;White crystals [Note: A liquid above 88 degrees F];Colorless, yellowish, or pinkish crystals

Complexity

70.8

Covalently-Bonded Unit Count

EC Number

202-423-8;607-513-4

Exact Mass

108.057515g/mol

Formal Charge

Heat of Vaporization

45.19 kJ/mol at 191.04 °C

Heavy Atom Count

ICSC Number

0030

Log P

1.95 (LogP);1.95;log Kow = 1.95;1.95;1.95

MeSH Entry Terms

2-cresol;2-cresol, ammonium salt;2-cresol, potassium salt;2-cresol, sodium salt;2-methylphenol;o-cresol;ortho-cresol

Monoisotopic Mass

108.057515g/mol

NSC Number

36809;23076

Odor

Phenolic odor;Sweet, tarry odor

Other Experimental

0.0323% in saturated air at 25 °C;Density of saturated air at 25 °C = 1.00089 (Air = 1)[;Wt/gal = 8.68 lb;Henry's Law constant = 1.2X10-6 atm-cu m/mol at 25 °C;Hydroxyl radical reaction rate constant = 4.32X10-11 cu cm/molec-sec at 25 °C

Refractive Index

Index of refraction: 1.553 at 20 °C/D;1.544-1.548

Rotatable Bond Count

RTECS Number

GO6300000

Stability

Stable under recommended storage conditions.;Crystals or liquid darken with exposure to air and light.

UNII

YW84DH5I7U

UN Number

2076;2022;3455;2076;2076

Vapor Density