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Basic Information
CAS No.: 59557-05-0
Name: Butanoic acid, 3-oxo-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
Article Data: 28
Molecular Structure:
Molecular Structure of 59557-05-0 (Butanoic acid, 3-oxo-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester)
Formula: C14H24 O3
Molecular Weight: 240.343
Synonyms: Butanoicacid, 3-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-(1a,2b,5a)]-; (-)-Menthyl acetoacetate; l-Menthyl acetoacetate
Density: 0.98g/cm3
Boiling Point: 308.5°C at 760 mmHg
Flash Point: 129.9°C
Safety: A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 43.37000
LogP: 2.96950
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Chemistry

Molecular Structure of Menthyl acetoacetate (CAS NO.59557-05-0):

IUPAC Name:  [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 3-oxobutanoate
Empirical Formula: C14H24O3 
Molecular Weight: 240.3386 
Surface Tension: 32.9 dyne/cm 
Density: 0.98 g/cm3 
Flash Point: 129.9 °C
Enthalpy of Vaporization: 54.92 kJ/mol
Boiling Point: 308.5 °C at 760 mmHg
Vapour Pressure: 0.000678 mmHg at 25°C 
Index of Refraction: 1.459 
Synonyms of Menthyl acetoacetate (CAS NO.59557-05-0): Butanoic acid, 3-oxo-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester ; Menthylacetoacetate ; 3-Oxobutanoic acid (1R)-5β-methyl-2α-isopropylcyclohexyl ester ; 3-Oxobutyric acid (1β)-2α-isopropyl-5β-methylcyclohexyl ester ; Acetoacetic acid (1R,3R,4S)-p-menthane-3-yl ester ; Acetoacetic acid [(1R)-2α-isopropyl-5β-methylcyclohexane]-1β-yl ester

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

     FCTOD7    Food and Chemical Toxicology. 20 (1982),733.

Safety Profile

A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.