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Substance Name: Orthocresol [NF]
RN: 95-48-7
UNII: YW84DH5I7U
InChIKey: QWVGKYWNOKOFNN-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-O

Molecular Weight

  • 108.139
 

Classification Codes

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 196
  • 2011 CERCLA Priority List, Rank: 194
  • Reportable Quantity (RQ) = 100 lb
  • Threshold Planning Quantity (TPQ) = 1000/10000 lb
  • TWA (2 ppm); Skin; BEI
  • TWA 5 mg/m3 (22 ppm); skin

Names and Synonyms

Name of Substance

  • 2-Cresol
  • 2-Methylphenol
  • o-Cresol
  • Orthocresol [NF]
  • Phenol, 2-methyl-

Synonyms

  • 1-Hydroxy-2-methylbenzene
  • 2-Cresol
  • 2-Hydroxy-1-methylbenzene
  • 2-Hydroxytoluene
  • 2-Methylphenol
  • AI3-00137
  • CCRIS 646
  • EC 202-423-8
  • EINECS 202-423-8
  • FEMA No. 3480
  • HSDB 1813
  • NSC 23076
  • o-Cresol
  • o-Cresylic acid
  • o-Hydroxytoluene
  • o-Kresol
  • o-Kresol [German]
  • o-Methylphenol
  • o-Methylphenylol
  • o-Oxytoluene
  • o-Toluol
  • Orthocresol
  • Phenol, 2-methyl-
  • RCRA waste number U052
  • UNII-YW84DH5I7U

Systematic Names

  • o-Cresol
  • Phenol, 2-methyl-

Superlist Names

  • 2-Methylphenol
  • Cresol, all isomers
  • Cresol, o-
  • Cresol, o-isomer
  • Cresol, ortho-
  • o-Cresol
  • o-Cresol [UN2076] [Poison, Corrosive]
  • o-Cresylic acid
  • Phenol, 2-methyl-
  • UN2076

Registry Numbers

CAS Registry Number

  • 95-48-7

FDA UNII

  • YW84DH5I7U

Related Registry Numbers

  • 3235-09-4 (potassium salt)
  • 4549-72-8 (hydrochloride salt)
  • 67674-51-5 (ammonium salt)

System Generated Number

  • 0000095487

Structure Descriptors

InChI

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

InChIKey

QWVGKYWNOKOFNN-UHFFFAOYSA-N

Smiles

c1(c(cccc1)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo subcutaneous 55mg/kg (55mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
dog LDLo intravenous 80mg/kg (80mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 57, 1959.
frog LDLo subcutaneous 200mg/kg (200mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
guinea pig LDLo intraperitoneal 720mg/kg (720mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
guinea pig LDLo subcutaneous 35mg/kg (35mg/kg) BEHAVIORAL: EXCITEMENT

SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895.
mouse LC50 inhalation 179mg/m3/2H (179mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 40, 1982.
mouse LD50 oral 344mg/kg (344mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974.
mouse LDLo intraperitoneal 200mg/kg (200mg/kg)   Revue Belge de Pathologie et de Medecine Experimentale. Vol. 22, Pg. 1, 1952.
mouse LDLo subcutaneous 410mg/kg (410mg/kg)   Zeitschrift fuer Hygiene und Infektionskrankheiten. Vol. 64, Pg. 113, 1909.
rabbit LD50 skin 890mg/kg (890mg/kg)   Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.
rabbit LDLo intravenous 180mg/kg (180mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
rabbit LDLo oral 940mg/kg (940mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 80, Pg. 233, 1944.
rabbit LDLo subcutaneous 450mg/kg (450mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
rat LC50 inhalation > 1220mg/m3/1H (1220mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 4-5/1969,
rat LD50 oral 121mg/kg (121mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets. Vol. 4-5/1969,
rat LD50 skin 620mg/kg (620mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974.
rat LDLo subcutaneous 65mg/kg (65mg/kg) SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE

BEHAVIORAL: EXCITEMENT

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 29.8 deg C   EXP
Boiling Point 191 deg C   EXP
pKa Dissociation Constant 10.28 (none) 25 EXP
log P (octanol-water) 1.95 (none)   EXP
Water Solubility 2.59E+04 mg/L 25 EXP
Henry's Law Constant 1.20E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 4.20E-11 cm3/molecule-sec 25 EXP

Physical property data is provided to ChemIDplus by SRC, Inc.