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Substance Name: 1-Methoxy-3-methylbenzene
RN: 100-84-5
UNII: UI9I3Y6WTZ
InChIKey: OSIGJGFTADMDOB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H10-O

Molecular Weight

  • 122.166
 
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Names and Synonyms

Name of Substance

  • 1-Methoxy-3-methylbenzene

Synonyms

  • 1-Methoxy-3-methylbenzene
  • 1-Methyl-3-methoxybenzene
  • 3-Methoxytoluene
  • 3-Methylanisole
  • 3-Methylmethoxybenzene
  • AI3-19476
  • Benzene, 1-methoxy-3-methyl-
  • EINECS 202-893-4
  • m-Cresol methyl ether
  • m-Cresyl methyl ether
  • m-Methoxytoluene
  • m-Methylanisole
  • Methyl 3-methylphenyl ether
  • Methyl m-cresyl ether
  • Methyl m-tolyl ether
  • NSC 6255
  • UNII-UI9I3Y6WTZ

Systematic Names

  • 3-Methylanisole
  • Anisole, m-methyl-
  • Benzene, 1-methoxy-3-methyl-

Registry Numbers

CAS Registry Number

  • 100-84-5

FDA UNII

  • UI9I3Y6WTZ

System Generated Number

  • 0000100845

Structure Descriptors

InChI

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

InChIKey

OSIGJGFTADMDOB-UHFFFAOYSA-N

Smiles

COc1cccc(C)c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 214, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.70E+01 deg C   EXP
Boiling Point 175.5 deg C   EXP
log P (octanol-water) 2.66 (none)   EXP
Water Solubility 527 mg/L 25 EST
Vapor Pressure 1.500 mm Hg 25 EST
Henry's Law Constant 3.52E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.71E-11 cm3/molecule-sec 25 EST

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