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Substance Name: 3-Phenoxybenzaldehyde
RN: 39515-51-0
UNII: 2ZI2173196
InChIKey: MRLGCTNJRREZHZ-UHFFFAOYSA-N

Classification Codes

  • Reproductive Effect
  • Skin / Eye Irritant

Molecular Formula

  • C13-H10-O2

Molecular Weight

  • 198.22
 
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Names and Synonyms

Name of Substance

  • 3-Phenoxybenzaldehyde

Synonyms

  • 3-Phenoxybenzaldehyde
  • 4-08-00-00242 (Beilstein Handbook Reference)
  • BRN 0511662
  • EC 254-487-1
  • EINECS 254-487-1
  • m-(Phenyloxy)benzaldehyde
  • m-Phenoxybenzaldehyde
  • UNII-2ZI2173196

Systematic Names

  • Benzaldehyde, 3-phenoxy-
  • m-Phenoxybenzaldehyde

Superlist Name

  • Benzaldehyde, 3-phenoxy-

Registry Numbers

CAS Registry Number

  • 39515-51-0

FDA UNII

  • 2ZI2173196

System Generated Number

  • 0039515510

Structure Descriptors

InChI

1S/C13H10O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-10H

InChIKey

MRLGCTNJRREZHZ-UHFFFAOYSA-N

Smiles

c1(Oc2ccccc2)cc(ccc1)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 26, Pg. 954, 1978.
mouse LD50 oral 1980mg/kg (1980mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 61(3), Pg. 6, 1996.
rabbit LD50 skin 7071mg/kg (7071mg/kg)   National Technical Information Service. Vol. OTS0534418,
rat LC50 inhalation 270mg/m3/4H (270mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
National Technical Information Service. Vol. OTS0534417,
rat LD50 oral 1222mg/kg (1222mg/kg) GASTROINTESTINAL: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0533495,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.38 (none)   EXP
Water Solubility 58 mg/L 25 EST
Vapor Pressure 1.64E-04 mm Hg 25 EST
Henry's Law Constant 2.94E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.43E-11 cm3/molecule-sec 25 EST

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