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Substance Name: p-Anisaldehyde
RN: 123-11-5
UNII: 9PA5V6656V
InChIKey: ZRSNZINYAWTAHE-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C8-H8-O2

Molecular Weight

  • 136.1492
 
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Names and Synonyms

Name of Substance

  • 4-Anisaldehyde
  • p-Anisaldehyde

Synonyms

  • 4-Anisaldehyde
  • 4-Methoxybenzaldehyde
  • AI3-00223
  • Anisic aldehyde
  • Aubepine
  • Benzaldehyde, 4-methoxy-
  • Caswell No. 051E
  • CCRIS 821
  • Crategine
  • EC 204-602-6
  • EINECS 204-602-6
  • FEMA No. 2670
  • Formylanisole, p-
  • HSDB 2641
  • NSC 5590
  • Obepin
  • p-Anisaldehyde
  • p-Anisic aldehyde
  • p-Formylanisole
  • p-Methoxybenzaldehyde
  • p-Methoxybenzaldehyde (natural)
  • UNII-9PA5V6656V

Systematic Names

  • Anisaldehyde
  • Benzaldehyde, 4-methoxy-
  • p-Anisaldehyde

Superlist Names

  • 4-Methoxybenzaldehyde
  • p-Anisaldehyde

Registry Numbers

CAS Registry Number

  • 123-11-5

FDA UNII

  • 9PA5V6656V

Other Registry Numbers

  • 26249-15-0
  • 68894-36-0
  • 721942-53-6

System Generated Number

  • 0000123115

Structure Descriptors

InChI

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

InChIKey

ZRSNZINYAWTAHE-UHFFFAOYSA-N

Smiles

COc1ccc(C=O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1260mg/kg (1260mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
mouse LD50 oral 1859mg/kg (1859mg/kg) GASTROINTESTINAL: NECROTIC GHANGES

GASTROINTESTINAL: OTHER CHANGES

LIVER: FATTY LIVER DEGERATION
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 58(8), Pg. 20, 1993.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 823, 1974.
rat LD50 oral 1510mg/kg (1510mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 0.0 deg C   EXP
Boiling Point 248 deg C   EXP
log P (octanol-water) 1.76 (none)   EXP
Water Solubility 4290 mg/L 25 EXP
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.