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Substance Name: Menthyl acetate
RN: 16409-45-3
InChIKey: XHXUANMFYXWVNG-UHFFFAOYSA-N

Classification Codes

  • Natural Product
  • Skin / Eye Irritant

Molecular Formula

  • C12-H22-O2

Molecular Weight

  • 198.3038
 
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Names and Synonyms

Name of Substance

  • Menthyl acetate

Synonyms

  • 5-Methyl-2-(1-methylethyl)cyclohexanol acetate
  • Acetic acid, p-menth-3-yl ester, dl-
  • AI3-36197
  • Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate
  • EINECS 240-459-6
  • FEMA Number 2668
  • HSDB 824
  • Menthol, acetate
  • Menthyl acetate
  • Menthyl acetate racemic

Systematic Names

  • Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate (8CI)
  • Menthol, acetate (8CI)
  • Menthyl acetate

Registry Numbers

CAS Registry Number

  • 16409-45-3

System Generated Number

  • 0016409453

Structure Descriptors

InChI

1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3

InChIKey

XHXUANMFYXWVNG-UHFFFAOYSA-N

Smiles

CC1CCC(C(C1)OC(=O)C)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 479, 1976.
rat LD50 oral 7620mg/kg (7620mg/kg)   Food and Cosmetics Toxicology. Vol. 14, Pg. 477, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 227 deg C   EXP
log P (octanol-water) 4 (none)   EXP
Water Solubility 8.010 mg/L 25 EST
Henry's Law Constant 8.29E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.84E-11 cm3/molecule-sec 25 EST

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