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Substance Name: trans-Anethole
RN: 4180-23-8
UNII: Q3JEK5DO4K
InChIKey: RUVINXPYWBROJD-ONEGZZNKSA-N

Note

  • An isomer of estragole; has some neurological and insecticidal and skin absorption effects.

Molecular Formula

  • C10-H12-O

Molecular Weight

  • 148.2038
 

Classification Codes

  • Drug / Therapeutic Agent
  • Flavoring Agents
  • Food Additives
  • Mutation Data
  • Pharmaceutic Aid (Flavor)
  • Pharmaceutic Aids
  • Reproductive Effect
  • Tumor Data
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Names and Synonyms

Results Name

  • trans-Anethole

Name of Substance

  • Anethole
  • Anethole [NF]

Synonyms

  • (E)-1-(4-Methoxyphenyl)propene
  • (E)-1-Methoxy-4-(1-propenyl)benzene
  • (E)-1-p-Methoxyphenylpropene
  • (E)-Anethol
  • (E)-Anethole
  • (E)-p-Propenylanisole
  • 1-Methoxy-4-((1E)-1-propenyl)benzene
  • 1-Methoxy-4-(1-propenyl)benzene, (E)-
  • 1-p-Methoxyphenylpropene, trans-
  • 4-06-00-03796 (Beilstein Handbook Reference)
  • Anethole
  • Anethole, trans
  • Anisole, p-propenyl-, (E)-
  • Anisole, p-propenyl-, trans-
  • Benzene, 1-methoxy-4-(1-propenyl)-, (E)-
  • BRN 0636190
  • CCRIS 2481
  • EC 224-052-0
  • EINECS 224-052-0
  • FEMA No. 2086
  • Methoxy-beta-methylstyrene, trans-p-
  • NSC 209529
  • Propenylanisole, p-, (E)-
  • trans-1-(4-Methoxyphenyl)-1-propene
  • trans-1-(p-Methoxyphenyl)-1-propene
  • trans-1-p-Anisylpropene
  • trans-4-(1-Propenyl)anisole
  • trans-Anethol
  • trans-Anethole
  • trans-Anethole (natural)
  • trans-p-Anethole
  • trans-p-Methoxy-beta-methylstyrene
  • trans-p-Propenylanisole
  • UNII-Q3JEK5DO4K

Systematic Names

  • (E)-Anethole
  • Anisole, p-propenyl-, (E)-
  • Anisole, p-propenyl-, trans-
  • Benzene, 1-methoxy-4-(1-propenyl)-, (E)-
  • Benzene, 1-methoxy-4-(1E)-1-propen-1-yl-
  • Benzene, 1-methoxy-4-(1E)-1-propenyl-
  • trans-Anethole

Superlist Names

  • Anethole, trans-
  • Anisole, p-propenyl-, (E)-

Registry Numbers

CAS Registry Number

  • 4180-23-8

FDA UNII

  • Q3JEK5DO4K

Other Registry Numbers

  • 109957-71-3
  • 57131-42-7

System Generated Number

  • 0004180238

Structure Descriptors

InChI

1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+

InChIKey

RUVINXPYWBROJD-ONEGZZNKSA-N

Smiles

C/C=C/c1ccc(cc1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 2167mg/kg (2167mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
mouse LD50 intraperitoneal 650mg/kg (650mg/kg)   Therapie. Vol. 22, Pg. 309, 1967.
mouse LD50 oral 3050mg/kg (3050mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: COMA
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rat LD50 intraperitoneal 900mg/kg (900mg/kg)   Therapie. Vol. 22, Pg. 309, 1967.
rat LD50 oral 2090mg/kg (2090mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: COMA
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 21.35 deg C   EXP
Boiling Point 234 deg C   EXP
log P (octanol-water) 3.390 (none)   EST
Water Solubility 98.7 mg/L 25 EST
Henry's Law Constant 2.56E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.76E-11 cm3/molecule-sec 25 EST

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