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Substance Name: 2,5-Dimethylphenol
RN: 95-87-4
UNII: XH3E3564KX
InChIKey: NKTOLZVEWDHZMU-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C8-H10-O

Molecular Weight

  • 122.166
 
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Names and Synonyms

Name of Substance

  • 2,5-Dimethylphenol
  • 2,5-Xylenol

Synonyms

  • 1,2,5-Xylenol
  • 1,4-Dimethyl-2-hydroxybenzene
  • 1-Hydroxy-2,5-dimethylbenzene
  • 2,5-Dimethylphenol
  • 2,5-Dmp
  • 2,5-Xylenol
  • 3,6-Dimethylphenol
  • 3,6-Xylenol
  • 4-06-00-03164 (Beilstein Handbook Reference)
  • 6-Methyl-m-cresol
  • AI3-01551
  • BRN 1099260
  • CCRIS 722
  • EC 202-461-5
  • EINECS 202-461-5
  • FEMA No. 3595
  • HSDB 5296
  • NSC 2599
  • p-Xylenol
  • Phenol, 2,5-dimethyl-
  • UNII-XH3E3564KX

Systematic Names

  • 2,5-Xylenol
  • Phenol, 2,5-dimethyl-

Superlist Name

  • 2,5-Xylenol

Registry Numbers

CAS Registry Number

  • 95-87-4

FDA UNII

  • XH3E3564KX

Other Registry Numbers

  • 145929-31-3
  • 50356-12-2

System Generated Number

  • 0000095874

Structure Descriptors

InChI

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

InChIKey

NKTOLZVEWDHZMU-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 383mg/kg (383mg/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 oral 938mg/kg (938mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: ATAXIA
Hygiene and Sanitation Vol. 33(7-9), Pg. 329, 1968.
rat LD50 oral 444mg/kg (444mg/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 unreported 730mg/kg (730mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacology and Experimental Therapeutics. Vol. 53, Pg. 227, 1935.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 74.8 deg C   EXP
Boiling Point 211.1 deg C   EXP
pKa Dissociation Constant 10.41 (none) 25 EXP
log P (octanol-water) 2.33 (none)   EXP
Water Solubility 3540 mg/L 25 EXP
Henry's Law Constant 1.12E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 8.00E-11 cm3/molecule-sec 25 EXP

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