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Substance Name: 1-Methyl-3-phenoxybenzene
RN: 3586-14-9
UNII: 2ZZI1Z67WR
InChIKey: UDONPJKEOAWFGI-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide
  • Mutation Data

Molecular Formula

  • C13-H12-O

Molecular Weight

  • 184.237
 
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Names and Synonyms

Name of Substance

  • 1-Methyl-3-phenoxybenzene

Synonyms

  • 1-Methyl-3-phenoxybenzene
  • 3-Methyldiphenyl ether
  • 3-Methylphenyl phenyl ether
  • 3-Phenoxytoluene
  • 4-06-00-02041 (Beilstein Handbook Reference)
  • BRN 2045714
  • EINECS 222-716-4
  • Ether, phenyl m-tolyl-
  • m-Methylphenyl phenyl ether
  • m-Phenoxytoluene
  • Phenyl m-tolyl ether
  • UNII-2ZZI1Z67WR

Systematic Names

  • Benzene, 1-methyl-3-phenoxy-
  • Phenyl m-tolyl ether

Superlist Name

  • Ether, phenyl m-tolyl

Registry Numbers

CAS Registry Number

  • 3586-14-9

FDA UNII

  • 2ZZI1Z67WR

System Generated Number

  • 0003586149

Structure Descriptors

InChI

1S/C13H12O/c1-11-6-5-9-13(10-11)14-12-7-3-2-4-8-12/h2-10H,1H3

InChIKey

UDONPJKEOAWFGI-UHFFFAOYSA-N

Smiles

c1(Oc2ccccc2)cc(ccc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2509mg/kg (2509mg/kg)   Zhonghua Yufangyixue Zazhi. Chinese Journal of Preventive Medicine. Vol. 21, Pg. 240, 1987.
rabbit LD50 skin > 5gm/kg (5000mg/kg) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA National Technical Information Service. Vol. OTS0537674,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 272 deg C   EXP
log P (octanol-water) 4.600 (none)   EST
Atmospheric OH Rate Constant 1.79E-11 cm3/molecule-sec 25 EST

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