DL-Menthol CAS NO.89-78-1

1.Introduction of 89-78-1

DL-Menthol, with the systematic name as 2-isopropyl-5-methylcyclohexanol, has the CAS registry number as 89-78-1. It could be use

1.Introduction of 89-78-1

DL-Menthol, with the systematic name as 2-isopropyl-5-methylcyclohexanol, has the CAS registry number as 89-78-1. It could be used as alphabetic, M, MEA - MES analytical standards, NMR reference standards, NMR stable isotopes and spectroscopy. Our product is a kind of white crystalline solid with a peppermint odor and taste, insoluble in water, and its purity is 99.0% in the market worldwide.

2.Properties of 89-78-1

ACD/LogP: 3.216
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 3.22
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 5.5): 163.88
ACD/BCF (pH 7.4): 163.88
ACD/KOC (pH 5.5): 1338.96
ACD/KOC (pH 7.4): 1338.96
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
Polar Surface Area: 20.23?²
Index of Refraction: 1.457
Molar Refractivity: 47.833 cm³
Molar Volume: 175.542 cm³
Polarizability: 18.963 10-24cm³
Surface Tension: 29.7059993743896 dyne/cm
Density: 0.89 g/cm³
Flash Point: 93.333 °C
Enthalpy of Vaporization: 52.536 kJ/mol
Boiling Point: 215.383 °C at 760 mmHg
Vapour Pressure: 0.0320000015199184 mmHg at 25°C

3.Structure description

(1)InChI: InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
(2)InChIKey: NOOLISFMXDJSKH-KXUCPTDWSA-N
(3)Canonical SMILES: CC1CCC(C(C1)O)C(C)C
(4)Isomeric SMILES: C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C

4.Absorption, distribution and excretion

(1)Not all glucuronides are excreted by tubular secretion, conjugates of higher molecular weight such as glucuronides of androsterone, are eliminated by glomerular filtration alone, whereas those of menthol, of lower molecular weight, by tubules in addition to glomerular filtration.
(2)Many substances with diverse structures are known to be excreted into bile; these include glucuronides of menthol.
(3)absorption can occur from topical use.

5.Safety Information of 89-78-1



6.Analytic laboratory methods

(1)A simultaneous gas-liquid chromatographic determination for methyl salicylate & menthol in topical analgesic formulations is reported.
(2)Menthol--official final action; colorimetric method; gas chromatographic method.
(3)Aoac 929.14. menthol in drugs. saponification method.
(4)High-performance liq chromatography (hplc) with 3% ethyl acetate/isooctance effectively separated menthol isomers without the need for unstable gas chromatographic phases or expensive reverse-phase hplc systems.
(5)Quantitative analysis of peppermint oil, for evaluation of the effects of photoperiod, temp, & time of harvest on levels of menthol was possible by gas chromatography on a capillary coated with sp-1000. recoveries were 97-98% for menthol, relative std deviations were 1.70-3.34%.