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Substance Name: o-Anisaldehyde
RN: 135-02-4
UNII: 7CP821WF2W
InChIKey: PKZJLOCLABXVMC-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C8-H8-O2

Molecular Weight

  • 136.1492
 
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Names and Synonyms

Name of Substance

  • o-Anisaldehyde

Synonyms

  • 2-Anisaldehyde
  • 2-Methoxybenzaldehyde
  • 2-Methoxybenzenecarboxaldehyde
  • 2-Methoxyphenylformaldehyde
  • 4-08-00-00180 (Beilstein Handbook Reference)
  • 6-Methoxybenzaldehyde
  • AI3-01375
  • Benzaldehyde, 2-methoxy-
  • Benzaldehyde, o-methoxy-
  • BRN 0606301
  • EINECS 205-171-7
  • Formylanisole, o-
  • NSC 58960
  • o-Anisaldehyde
  • o-Methoxybenzaldehyde
  • Salicylaldehyde methyl ether
  • UNII-7CP821WF2W

Systematic Names

  • 2-Methoxybenzaldehyde
  • Benzaldehyde, 2-methoxy-
  • o-Anisaldehyde

Superlist Names

  • 2-Methoxybenzaldehyde
  • Benzaldehyde, 2-methoxy-
  • o-Anisaldehyde
  • o-Methoxybenzaldehyde

Registry Numbers

CAS Registry Number

  • 135-02-4

FDA UNII

  • 7CP821WF2W

System Generated Number

  • 0000135024

Structure Descriptors

InChI

1S/C8H8O2/c1-10-8-5-3-2-4-7(8)6-9/h2-6H,1H3

InChIKey

PKZJLOCLABXVMC-UHFFFAOYSA-N

Smiles

COc1ccccc1C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2400mg/kg (2400mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
National Technical Information Service. Vol. OTS0533625,
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 855, 1979.
rat LD50 oral 2500mg/kg (2500mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 855, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 37.5 deg C   EXP
Boiling Point 243.5 deg C   EXP
log P (octanol-water) 1.72 (none)   EXP
Water Solubility 2950 mg/L 25 EST
Vapor Pressure 0.121 mm Hg 25 EST
Henry's Law Constant 7.94E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.48E-11 cm3/molecule-sec 25 EST

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