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o-Cresol
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
1
EC Number
202-423-8;607-513-4
Exact Mass
108.057515g/mol
Formal Charge
0
Heat of Vaporization
45.19 kJ/mol at 191.04 °C
Heavy Atom Count
8
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
0
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
3.72 (EPA, 1998) (Relative to Air);3.72 (Air = 1);Relative vapor density (air = 1): 3.7
Vapor Pressure
1 mm Hg at 100.76 °F (EPA, 1998);0.30 mmHg;0.18 mm Hg at 25 °C;Vapor pressure, Pa at 25 °C: 33;(77°F): 0.29 mmHg
Viscosity
3.035 cP at 50 °C; 1.562 cP at 75 °C; 0.961 cP at 100 °C
XLogP3
2
MSDS
COA
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