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Substance Name: 4-Methylbenzyl alcohol
RN: 589-18-4
UNII: EXZ915A627
InChIKey: KMTDMTZBNYGUNX-UHFFFAOYSA-N

Note

  • A pulmonary metabolite of para-xylene.

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C8-H10-O

Molecular Weight

  • 122.166
 
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Names and Synonyms

Name of Substance

  • 4-Methylbenzyl alcohol

Synonyms

  • 4-(Hydroxymethyl)toluene
  • 4-06-00-03171 (Beilstein Handbook Reference)
  • 4-Methylbenzenemethanol
  • 4-Methylbenzyl alcohol
  • 4-Tolylcarbinol
  • AI3-09610
  • Benzenemethanol, 4-methyl-
  • BRN 1856550
  • CCRIS 5112
  • EINECS 209-639-1
  • HSDB 7615
  • NSC 3992
  • p-Methylbenzyl alcohol
  • p-Methylbenzylalcohol
  • p-Methylbenzylalkohol
  • p-Methylbenzylalkohol [German]
  • p-Tolyl alcohol
  • p-Tolylcarbinol
  • UNII-EXZ915A627

Systematic Names

  • 4-Methyl-benzenemethanol (9CI)
  • 4-Methylbenzyl alcohol
  • Benzenemethanol, 4-methyl-
  • Benzyl alcohol, p-methyl-
  • p-Methylbenzyl alcohol

Registry Numbers

CAS Registry Number

  • 589-18-4

FDA UNII

  • EXZ915A627

Other Registry Number

  • 185532-77-8

System Generated Number

  • 0000589184

Structure Descriptors

InChI

1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3

InChIKey

KMTDMTZBNYGUNX-UHFFFAOYSA-N

Smiles

Cc1ccc(CO)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 324mg/kg (324mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 104, Pg. 793, 1984.
mouse LD50 oral 1400mg/kg (1400mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 347, 1962.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 839, 1982.
rat LD50 oral 3900mg/kg (3900mg/kg)   Food and Chemical Toxicology. Vol. 20, Pg. 839, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 61.5 deg C   EXP
Boiling Point 217 deg C   EXP
log P (octanol-water) 1.58 (none)   EXP
Water Solubility 7710 mg/L 25 EXP
Vapor Pressure 0.016 mm Hg 25 EST
Henry's Law Constant 2.40E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.75E-12 cm3/molecule-sec 25 EST

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