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Substance Name: 2,6-Dimethylphenol
RN: 576-26-1
UNII: I8N0RO87OV
InChIKey: NXXYKOUNUYWIHA-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant
  • TSCA Flag T (Subject to the Section 4 Test Rule under TSCA)
  • Tumor Data

Molecular Formula

  • C8-H10-O

Molecular Weight

  • 122.166
 
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Names and Synonyms

Name of Substance

  • 2,6-Dimethylphenol
  • 2,6-Xylenol

Synonyms

  • 1-Hydroxy-2,6-dimethylbenzene
  • 2,6-Dimethylphenol
  • 2,6-Dmp
  • 2,6-Xylenol
  • 2-Hydroxy-1,3-dimethylbenzene
  • AI3-08524
  • EC 209-400-1
  • EINECS 209-400-1
  • FEMA No. 3249
  • HSDB 5697
  • NSC 2123
  • Phenol, 2,6-dimethyl-
  • UNII-I8N0RO87OV
  • Vic-m-xylenol
  • Xylenol 235

Systematic Names

  • 2,6-Xylenol
  • Phenol, 2,6-dimethyl-

Superlist Names

  • 2,6-Dimethylphenol
  • 2,6-Xylenol
  • Dimethylphenol, 2,6-

Registry Numbers

CAS Registry Number

  • 576-26-1

FDA UNII

  • I8N0RO87OV

Other Registry Numbers

  • 1363408-62-1
  • 28449-96-9
  • 50356-22-4

System Generated Number

  • 0000576261

Structure Descriptors

InChI

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

InChIKey

NXXYKOUNUYWIHA-UHFFFAOYSA-N

Smiles

c1(c(cccc1C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC inhalation > 270mg/m3 (270mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(4), Pg. 43, 1976.
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LD50 intravenous 80mg/kg (80mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: SLEEP
Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980.
mouse LD50 oral 450mg/kg (450mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(4), Pg. 43, 1976.
mouse LD50 skin 920mg/kg (920mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(2), Pg. 58, 1974.
rabbit LD50 oral 700mg/kg (700mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ATAXIA
Hygiene and Sanitation Vol. 33(7-9), Pg. 329, 1968.
rabbit LD50 skin 1gm/kg (1000mg/kg)   Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. Vol. 6, Pg. 1, 1967.
rat LD50 oral 296mg/kg (296mg/kg)   Gigiena Truda i Professional'naya Patologiya v Estonskoi SSR. Labor Hygiene and Occupational Pathology in the Estonian SSR. Vol. 8, Pg. 145, 1972.
rat LD50 skin 2325mg/kg (2325mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(4), Pg. 43, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 45.7 deg C   EXP
Boiling Point 201 deg C   EXP
pKa Dissociation Constant 10.62 (none)   EXP
log P (octanol-water) 2.36 (none)   EXP
Water Solubility 6050 mg/L 25 EXP
Henry's Law Constant 6.65E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 6.59E-11 cm3/molecule-sec 25 EXP

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