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Substance Name: 2,3-Dimethylphenol
RN: 526-75-0
UNII: RLF9YS3586
InChIKey: QWBBPBRQALCEIZ-UHFFFAOYSA-N

Molecular Formula

  • C8-H10-O

Molecular Weight

  • 122.166
 
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Names and Synonyms

Name of Substance

  • 2,3-Dimethylphenol

Synonyms

  • 1-Hydroxy-2,3-dimethylbenzene
  • 2,3-Dimethylphenol
  • 2,3-Xylenol
  • 4-06-00-03096 (Beilstein Handbook Reference)
  • Benzene, 1,2-dimethyl-3-hydroxy-
  • BRN 1906267
  • CCRIS 8897
  • EINECS 208-395-3
  • HSDB 5676
  • NSC 62011
  • o-3-Xylenol
  • o-Xylenol
  • Phenol, 2,3-dimethyl-
  • UNII-RLF9YS3586
  • Vic-o-Xylenol
  • Xyellenol 100

Systematic Names

  • 2,3-Xylenol
  • Phenol, 2,3-dimethyl-

Superlist Name

  • 2,3-Xylenol

Registry Numbers

CAS Registry Number

  • 526-75-0

FDA UNII

  • RLF9YS3586

System Generated Number

  • 0000526750

Structure Descriptors

InChI

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

InChIKey

QWBBPBRQALCEIZ-UHFFFAOYSA-N

Smiles

c1(c(cccc1O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00158,
rat LC inhalation > 85500ug/m3/4 (85.5mg/m3)   National Technical Information Service. Vol. AD-A180-198,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 72.8 deg C   EXP
Boiling Point 216.9 deg C   EXP
pKa Dissociation Constant 10.544 (none) 25 EXP
log P (octanol-water) 2.48 (none)   EXP
Water Solubility 4570 mg/L 25 EXP
Henry's Law Constant 7.38E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 8.02E-11 cm3/molecule-sec 25 EXP

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