O-Cresol

o-Cresol
Kekulé, skeletal formula of o-cresol with some implicit hydrogens shown
Kekulé, skeletal formula of o-cresol with some implicit hydrogens shown
Spacefill model of o-cresol
Spacefill model of o-cresol
Names
Preferred IUPAC name
2-Methylphenol
Systematic IUPAC name
2-Methylbenzenol
Other names
2-Cresol
o-Cresol
ortho-Cresol
ortho-Toluenol
ortho-Benzol
2-Hydroxytoluene
o-Cresylic acid
1-Hydroxy-2-methylbenzene
Identifiers
3D model (JSmol)
3DMet
506917
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.002.204 Edit this at Wikidata
EC Number
  • 202-423-8
101619
KEGG
MeSH 2-Cresol
RTECS number
  • GO6300000
UNII
UN number 2076, 3455
  • InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3 checkY
    Key: QWVGKYWNOKOFNN-UHFFFAOYSA-N ☒N
  • Cc1ccccc1O
Properties
C7H8O
Molar mass 108.140 g·mol−1
Appearance Colorless to white crystals
Odor sweet, phenolic odor
Density 1.0465 g cm−3
Melting point 31 °C; 88 °F; 304 K
Boiling point 191 °C; 376 °F; 464 K
31 g dm−3 (at 40 °C)
Solubility soluble in chloroform, ether, CCl4
Solubility in ethanol Miscible (at 30 °C)
Solubility in diethyl ether Miscible (at 30 °C)
log P 1.962
Vapor pressure 40 Pa (at 20 °C)
Acidity (pKa) 10.316
Basicity (pKb) 3.681
−72.9×10−6 cm3/mol
1.5353
Viscosity 35.06 cP (at 45 °C)
Thermochemistry
154.56 J K−1 mol−1
165.44 J K−1 mol−1
−204.3 kJ mol−1
−3.6936 MJ mol−1
Hazards
GHS labelling:
GHS05: CorrosiveGHS06: Toxic
Danger
H301, H311, H314
P260, P264, P270, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P361, P363, P405, P501
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 3: Short exposure could cause serious temporary or residual injury. E.g. chlorine gasFlammability 2: Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur. Flash point between 38 and 93 °C (100 and 200 °F). E.g. diesel fuelInstability 0: Normally stable, even under fire exposure conditions, and is not reactive with water. E.g. liquid nitrogenSpecial hazards (white): no code
3
2
0
Flash point 81 °C (178 °F; 354 K)
598.9 °C (1,110.0 °F; 872.0 K)
Explosive limits 1.4%–? (148 °C)[1]
Lethal dose or concentration (LD, LC):
1350 mg/kg (rat, oral)
121 mg/kg (rat, oral)
344 mg/kg (mouse, oral)[2]
NIOSH (US health exposure limits):
PEL (Permissible)
 TWA 5 ppm (22 mg/m3) [skin][1]
REL (Recommended)
 TWA 2.3 ppm (10 mg/m3)[1]
IDLH (Immediate danger)
 250 ppm[1]
Safety data sheet (SDS) External MSDS
Related compounds
Related phenols
 Cresols:
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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ortho-Cresol (IUPAC name: 2-methylphenol, also known as 2-hydroxytoluene or ortho-Toluenol) is an organic compound with the formula CH3C6H4(OH). It is a colourless solid that is widely used intermediate in the production of other chemicals. It is a derivative of phenol and is an isomer of p-cresol and m-cresol.[3]

  1. ^ a b c d NIOSH Pocket Guide to Chemical Hazards. "#0154". National Institute for Occupational Safety and Health (NIOSH).
  2. ^ "Cresol (o, m, p isomers)". Immediately Dangerous to Life or Health Concentrations (IDLH). National Institute for Occupational Safety and Health (NIOSH).
  3. ^ Helmut Fiegein "Cresols and Xylenols" in Ullmann's Encyclopedia of Industrial Chemistry" 2007; Wiley-VCH, Weinheim. doi:10.1002/14356007.a08_025