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Substance Name: Anise alcohol
RN: 105-13-5
UNII: 7N6XGV3U49
InChIKey: MSHFRERJPWKJFX-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insect Attractant, Repellent and Chemosterilant
  • Skin / Eye Irritant

Molecular Formula

  • C8-H10-O2

Molecular Weight

  • 138.165
 
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Names and Synonyms

Name of Substance

  • Anise alcohol

Synonyms

  • 4-06-00-05909 (Beilstein Handbook Reference)
  • 4-Methoxybenzenemethanol
  • 4-Methoxybenzyl alcohol
  • AI3-01170
  • Anisalcohol, p-
  • Anise alcohol
  • Anisic alcohol
  • Anisyl alcohol
  • Anisyl alcohol (natural)
  • Benzenemethanol, 4-methoxy-
  • Benzyl alcohol, p-methoxy-
  • BRN 0636654
  • CCRIS 5111
  • EC 203-273-6
  • EINECS 203-273-6
  • FEMA No. 2099
  • NSC 2151
  • p-Anisol alcohol
  • p-Anisyl alcohol
  • p-Methoxybenzyl alcohol
  • UNII-7N6XGV3U49

Systematic Names

  • 4-Methoxybenzyl alcohol
  • Benzenemethanol, 4-methoxy-
  • Benzyl alcohol, p-methoxy-
  • p-Methoxybenzyl alcohol

Superlist Name

  • Anisyl alcohol

Registry Numbers

CAS Registry Number

  • 105-13-5

FDA UNII

  • 7N6XGV3U49

Other Registry Number

  • 185532-75-6

System Generated Number

  • 0000105135

Structure Descriptors

InChI

1S/C8H10O2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,9H,6H2,1H3

InChIKey

MSHFRERJPWKJFX-UHFFFAOYSA-N

Smiles

c1(ccc(OC)cc1)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1600uL/kg (1.6mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
mouse LD50 skin > 10mL/kg (10mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.
rabbit LD50 skin 3gm/kg (3000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 825, 1974.
rat LD50 oral 1200uL/kg (1.2mL/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 26, 1948.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 25 deg C   EXP
Boiling Point 259.1 deg C   EXP
log P (octanol-water) 1.1 (none)   EXP
Water Solubility 2000 mg/L 20 EXP
Vapor Pressure 3.80E-03 mm Hg 25 EST
Henry's Law Constant 1.29E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.04E-11 cm3/molecule-sec 25 EST

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