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Substance Name: 2,4-Dimethylphenol
RN: 105-67-9
UNII: 5OD803C081
InChIKey: KUFFULVDNCHOFZ-UHFFFAOYSA-N

Molecular Formula

  • C8-H10-O

Molecular Weight

  • 122.166
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Germicide, Bactericide, Disinfectant
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 188
  • 2011 CERCLA Priority List, Rank: 184
  • Reportable Quantity (RQ) = 100 lb

Names and Synonyms

Name of Substance

  • 2,4-Dimethylphenol

Synonyms

  • 1-Hydroxy-2,4-dimethylbenzene
  • 2,4-Dimethylphenol
  • 2,4-Xylenol
  • 4,6-Dimethylphenol
  • 4-06-00-03126 (Beilstein Handbook Reference)
  • 4-Hydroxy-1,3-dimethylbenzene
  • AI3-17612
  • Bacticin
  • Benzene, 2,4-dimethyl-1-hydroxy-
  • BRN 0636244
  • Bulk Lysol Brand Disinfectant
  • Caswell No. 907A
  • CCRIS 721
  • Du Cor Concentrated Fly Insecticide
  • EC 203-321-6
  • EINECS 203-321-6
  • EPA Pesticide Chemical Code 086804
  • Gable-Tite Dark Creosote (Creola)
  • Gable-Tite Light Creosote (Creola)
  • Gallex
  • HSDB 4253
  • Lysol Brand disinfectant
  • m-Xylenol
  • NSC 3829
  • Phenol, 2,4-dimethyl-
  • RCRA waste number U101
  • UNII-5OD803C081

Systematic Names

  • 2,4-Xylenol
  • Phenol, 2,4-dimethyl-

Superlist Names

  • 2,4-Dimethylphenol
  • 2,4-Xylenol
  • Phenol, 2,4-dimethyl-
  • RCRA waste no. U101

Registry Numbers

CAS Registry Number

  • 105-67-9

FDA UNII

  • 5OD803C081

System Generated Number

  • 0000105679

Structure Descriptors

InChI

1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3

InChIKey

KUFFULVDNCHOFZ-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)C)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 183mg/kg (183mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975.
mouse LD50 intravenous 100mg/kg (100mg/kg) BEHAVIORAL: SLEEP Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.
mouse LD50 oral 809mg/kg (809mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974.
rat LC inhalation > 30mg/m3 (30mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 23(10), Pg. 52, 1979.
rat LD50 oral 3200mg/kg (3200mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974.
rat LD50 skin 1040mg/kg (1040mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 24.5 deg C   EXP
Boiling Point 210.9 deg C   EXP
pKa Dissociation Constant 10.6 (none) 25 EXP
log P (octanol-water) 2.3 (none)   EXP
Water Solubility 7870 mg/L 25 EXP
Vapor Pressure 0.102 mm Hg 25 EXP
Henry's Law Constant 9.51E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 7.15E-11 cm3/molecule-sec 25 EXP

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