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Substance Name: 3,4-Dimethylphenol
RN: 95-65-8
UNII: 4L479F5JU6
InChIKey: YCOXTKKNXUZSKD-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Experimental Pesticide
  • Tumor Data
  • Unspecified / Unclassified Pesticide

Molecular Formula

  • C8-H10-O

Molecular Weight

  • 122.166
 
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Names and Synonyms

Name of Substance

  • 3,4-Dimethylphenol

Synonyms

  • 1,3,4-Xylenol
  • 1-Hydroxy-3,4-dimethylbenzene
  • 3,4-Dimethylphenol
  • 3,4-DMP
  • 4,5-Dimethylphenol
  • 4-06-00-03099 (Beilstein Handbook Reference)
  • 4-Hydroxy-1,2-dimethylbenzene
  • AI3-01552
  • BRN 1099267
  • CCRIS 723
  • EC 202-439-5
  • EINECS 202-439-5
  • FEMA No. 3596
  • HSDB 5294
  • NSC 1549
  • UNII-4L479F5JU6

Systematic Names

  • 3,4-Xylenol
  • Phenol, 3,4-dimethyl-

Superlist Name

  • 3,4-Xylenol

Registry Numbers

CAS Registry Number

  • 95-65-8

FDA UNII

  • 4L479F5JU6

System Generated Number

  • 0000095658

Structure Descriptors

InChI

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

InChIKey

YCOXTKKNXUZSKD-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0533431,
mouse LD50 oral 400mg/kg (400mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: ATAXIA
Hygiene and Sanitation Vol. 33(7-9), Pg. 329, 1968.
rabbit LD50 oral 800mg/kg (800mg/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 intraperitoneal 200mg/kg (200mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0533431,
rat LD50 oral 727mg/kg (727mg/kg)   Gigiena Truda i Professional'naya Patologiya v Estonskoi SSR. Labor Hygiene and Occupational Pathology in the Estonian SSR. Vol. 8, Pg. 145, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 60.8 deg C   EXP
Boiling Point 227 deg C   EXP
pKa Dissociation Constant 10.36 (none) 25 EXP
log P (octanol-water) 2.23 (none)   EXP
Water Solubility 4760 mg/L 25 EXP
Henry's Law Constant 4.15E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 8.14E-11 cm3/molecule-sec 25 EXP

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