o-Cresol - Materials / Alfa Chemistry

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o-Cresol

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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%

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