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Substance Name: 2-t-Butyl-4-methylphenol
RN: 2409-55-4
UNII: Y9VVU7G7J4
InChIKey: IKEHOXWJQXIQAG-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C11-H16-O

Molecular Weight

  • 164.246
 
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Names and Synonyms

Name of Substance

  • 2-t-Butyl-4-methylphenol
  • 2-tert-Butyl-4-methylphenol

Synonyms

  • 1-Hydroxy-2-tert-butyl-4-methylbenzene
  • 2-(1,1-Dimethylethyl)-4-methylphenol
  • 2-t-Butyl-4-methylphenol
  • 2-t-Butyl-p-cresol
  • 2-terc.Butyl-p-kresol
  • 2-terc.Butyl-p-kresol [Czech]
  • 2-tert-Butyl-4-methyl-1-phenol
  • 2-tert-Butyl-4-methylphenol
  • 2-tert-Butyl-p-cresol
  • 4-06-00-03397 (Beilstein Handbook Reference)
  • 4-Methyl-2-(1,1-dimethylethyl)phenol
  • 4-Methyl-2-t-butylphenol
  • 4-Methyl-2-tert-butylphenol
  • 4-Methyl-6-t-butylphenol
  • BRN 1817645
  • CCRIS 4045
  • EC 219-314-6
  • EINECS 219-314-6
  • HSDB 5875
  • NSC 60301
  • o-tert-Butyl-p-cresol
  • p-Cresol, 2-tert-butyl-
  • Phenol, 2-(1,1-dimethylethyl)-4-methyl-
  • UNII-Y9VVU7G7J4

Systematic Names

  • 2-tert-Butyl-4-methylphenol
  • 2-tert-Butyl-p-cresol
  • p-Cresol, 2-tert-butyl-
  • Phenol, 2-(1,1-dimethylethyl)-4-methyl-

Superlist Name

  • p-Cresol, 2-tert-butyl-

Registry Numbers

CAS Registry Number

  • 2409-55-4

FDA UNII

  • Y9VVU7G7J4

System Generated Number

  • 0002409554

Structure Descriptors

InChI

1S/C11H16O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h5-7,12H,1-4H3

InChIKey

IKEHOXWJQXIQAG-UHFFFAOYSA-N

Smiles

C(c1c(ccc(c1)C)O)(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo oral 940mg/kg (940mg/kg) BEHAVIORAL: COMA

BEHAVIORAL: TREMOR

PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE
National Technical Information Service. Vol. OTS0571339,
guinea pig LD50 oral 1180mg/kg (1180mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SLEEP
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 12, Pg. 124, 1971.
mouse LD50 intraperitoneal 144mg/kg (144mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975.
mouse LD50 intravenous 10mg/kg (10mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03020,
mouse LD50 oral 700mg/kg (700mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949.
rabbit LDLo oral 2100mg/kg (2100mg/kg) PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE

BEHAVIORAL: TREMOR

BEHAVIORAL: COMA
National Technical Information Service. Vol. OTS0571339,
rabbit LDLo skin 2200mg/kg (2200mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 366, 1949.
rat LD50 oral 2500mg/kg (2500mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 12, Pg. 124, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 51.5 deg C   EXP
Boiling Point 237 deg C   EXP
pKa Dissociation Constant 11.72 (none) 20 EXP
log P (octanol-water) 3.970 (none)   EST
Water Solubility 184 mg/L 25 EST
Henry's Law Constant 1.50E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.98E-11 cm3/molecule-sec 25 EST

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