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Substance Name: 1-Methoxy-4-methylbenzene
RN: 104-93-8
UNII: 10FAI0OR9W
InChIKey: CHLICZRVGGXEOD-UHFFFAOYSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C8-H10-O

Molecular Weight

  • 122.166
 
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Names and Synonyms

Name of Substance

  • 1-Methoxy-4-methylbenzene
  • 4-Methyl anisole

Synonyms

  • 1-Methoxy-4-methylbenzene
  • 1-Methyl-4-methoxybenzene
  • 4-Methoxytoluene
  • 4-Methyl-1-methoxybenzene
  • 4-Methylanisole
  • 4-Methylphenol methyl ether
  • AI3-07621
  • Anisole, p-methyl-
  • Benzene, 1-methoxy-4-methyl-
  • EC 203-253-7
  • EINECS 203-253-7
  • FEMA No. 2681
  • FEMA Number 2681
  • HSDB 5363
  • Methyl 4-methylphenyl ether
  • Methyl p-cresol
  • Methyl p-cresyl ether
  • Methyl p-methylphenyl ether
  • Methyl p-tolyl ether
  • Methyl-para-cresol
  • NSC 6254
  • p-Cresol methyl ether
  • p-Cresyl methyl ether
  • p-Methoxytoluene
  • p-Methylanisole
  • p-Tolyl methyl ether
  • para-Cresyl methyl ether
  • para-Methoxytoluene
  • para-Methylanisole
  • Toluene, 4-methoxy-
  • UNII-10FAI0OR9W

Systematic Names

  • 4-Methylanisole
  • Anisole, p-methyl-
  • Benzene, 1-methoxy-4-methyl-

Superlist Names

  • 4-Methylanisole
  • Anisole, p-methyl-

Registry Numbers

CAS Registry Number

  • 104-93-8

FDA UNII

  • 10FAI0OR9W

Other Registry Number

  • 1071687-44-9

System Generated Number

  • 0000104938

Structure Descriptors

InChI

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

InChIKey

CHLICZRVGGXEOD-UHFFFAOYSA-N

Smiles

COc1ccc(C)cc1

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.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 393, 1974.
rat LD50 oral 1920mg/kg (1920mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 393, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.20E+01 deg C   EXP
Boiling Point 175.5 deg C   EXP
log P (octanol-water) 2.66 (none)   EXP
Water Solubility 670 mg/L 25 EST
Vapor Pressure 1.140 mm Hg 25 EST
Henry's Law Constant 4.66E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.73E-11 cm3/molecule-sec 25 EST

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