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Substance Name: Acetyleugenol
RN: 93-28-7
UNII: V9OSB376X8
InChIKey: SCCDQYPEOIRVGX-UHFFFAOYSA-N

Note

  • From cloves; inhibits arachidonate-, adrenaline-, & collagen-induced platelet aggregation.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H14-O3

Molecular Weight

  • 206.24
 
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Names and Synonyms

Name of Substance

  • Acetyleugenol

Synonyms

  • 1,3,4-Eugenol acetate
  • 1-Acetoxy-2-methoxy-4-allylbenzene
  • 2-Methoxy-4-(2-propen-1-yl)phenyl acetate
  • 2-Methoxy-4-(2-propenyl)phenyl acetate
  • 3-06-00-05029 (Beilstein Handbook Reference)
  • 4-Allyl-2-methoxyphenol acetate
  • 4-Allyl-2-methoxyphenyl acetate
  • Aceteugenol
  • Acetyl eugenol
  • Acetyleugenol
  • AI3-01780
  • BRN 1964745
  • EINECS 202-235-6
  • Eugenol acetate
  • Eugenyl acetate
  • FEMA No. 2469
  • NSC 1242
  • Phenol, 2-methoxy-4-(2-propenyl)-, acetate
  • Phenol, 4-allyl-2-methoxy-, acetate
  • UNII-V9OSB376X8

Systematic Names

  • 4-Allyl-2-methoxyphenyl acetate
  • Phenol, 2-methoxy-4-(2-propen-1-yl)-, 1-acetate
  • Phenol, 2-methoxy-4-(2-propenyl)-, acetate
  • Phenol, 4-allyl-2-methoxy-, acetate

Superlist Name

  • Eugenyl acetate

Registry Numbers

CAS Registry Number

  • 93-28-7

FDA UNII

  • V9OSB376X8

System Generated Number

  • 0000093287

Structure Descriptors

InChI

1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3

InChIKey

SCCDQYPEOIRVGX-UHFFFAOYSA-N

Smiles

c1(c(cc(CC=C)cc1)OC)OC(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 12, Pg. 877, 1974.
rat LD50 oral 1670mg/kg (1670mg/kg) SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
rat LDLo intratracheal 48mg/kg (48mg/kg) LUNGS, THORAX, OR RESPIRATION: CHRONIC PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI
Archives of Toxicology. Vol. 59, Pg. 78, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 30.5 deg C   EXP
Boiling Point 281 deg C   EXP
log P (octanol-water) 3.060 (none)   EST
Water Solubility 98.3 mg/L 25 EST
Henry's Law Constant 5.56E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.74E-11 cm3/molecule-sec 25 EST

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