(-)-Menthyl lactate CAS NO.59259-38-0

1.Introduction of 59259-38-0

(-)-Menthyl lactate has the CAS registry number of 59259-38-0. It has systematic name of (1R,2S,5R)-2-Isopropyl-

1.Introduction of 59259-38-0

(-)-Menthyl lactate has the CAS registry number of 59259-38-0. It has systematic name of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (2R)-2-hydroxypropanoate. The chemical is a kind of white crystalline white powder with minimun purity of 98.0% in the market, and it is widely used as chiral, biochemistry, monocyclic monoterpenes and terpenes.

2.Properties of 59259-38-0

ACD/LogP: 3.358
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 3.36
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 5.5): 209.86
ACD/BCF (pH 7.4): 209.86
ACD/KOC (pH 5.5): 1598.25
ACD/KOC (pH 7.4): 1598.25
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
Polar Surface Area: 46.53?²
Index of Refraction: 1.468
Molar Refractivity: 63.471 cm³
Molar Volume: 228.423 cm³
Polarizability: 25.162 10-24cm³
Surface Tension: 34.4770011901855 dyne/cm
Density: 1 g/cm³
Flash Point: 116.023 °C
Enthalpy of Vaporization: 63.13 kJ/mol
Boiling Point: 303.986 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 59259-38-0

(1)InChI: InChI=1S/C13H24O3/c1-8(2)11-6-5-9(3)7-12(11)16-13(15)10(4)14/h8-12,14H,
5-7H2,1-4H3/t9-,10-,11+,12-/m1/s1
(2)InChIKey: UJNOLBSYLSYIBM-WISYIIOYSA-N
(3)Canonical SMILES : CC1CCC(C(C1)OC(=O)C(C)O)C(C)C
(4)Isomeric SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H](C)O)C(C)C