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Substance Name: Anisole
RN: 100-66-3
UNII: B3W693GAZH
InChIKey: RDOXTESZEPMUJZ-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C7-H8-O

Molecular Weight

  • 108.1392
 
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Names and Synonyms

Name of Substance

  • Anisole

Synonyms

  • AI3-00042
  • Anisole
  • Anizol
  • Benzene, methoxy
  • EC 202-876-1
  • EINECS 202-876-1
  • Ether, methyl phenyl
  • FEMA No. 2097
  • FEMA Number 2097
  • HSDB 44
  • Methoxybenzene
  • Methyl phenyl ether
  • NSC 7920
  • Phenoxymethane
  • Phenyl methyl ether
  • UNII-B3W693GAZH

Systematic Names

  • Anisole
  • Benzene, methoxy-

Superlist Names

  • Anisole
  • Anisole [UN2222] [Flammable liquid]
  • UN2222

Registry Numbers

CAS Registry Number

  • 100-66-3

FDA UNII

  • B3W693GAZH

System Generated Number

  • 0000100663

Structure Descriptors

InChI

1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

InChIKey

RDOXTESZEPMUJZ-UHFFFAOYSA-N

Smiles

COc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 3021mg/m3/2H (3021mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(6), Pg. 43, 1984.
mouse LD50 oral 2800mg/kg (2800mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 400, 1946.
rat LC50 inhalation > 5000mg/m3 (5000mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(6), Pg. 43, 1984.
rat LD50 oral 3700mg/kg (3700mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

KIDNEY, URETER, AND BLADDER: HEMATURIA
Toxicology and Applied Pharmacology. Vol. 6, Pg. 378, 1964.
rat LDLo intraperitoneal 500mg/kg (500mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 17, Pg. 497, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.75E+01 deg C   EXP
Boiling Point 153.7 deg C   EXP
pKa Dissociation Constant -6.51E+00 (none) 0 EXP
log P (octanol-water) 2.11 (none)   EXP
Water Solubility 1040 mg/L 25 EXP
Vapor Pressure 3.54 mm Hg 25 EXP
Henry's Law Constant 4.84E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.73E-11 cm3/molecule-sec 25 EXP

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