CAS No.17162-29-7,Menthyl lactate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	17162-29-7
Name:	Menthyl lactate
Article Data:	7

Formula:	C₁₃H₂₄O₃
Molecular Weight:	228.332
Synonyms:	Lacticacid, p-menth-3-yl ester (8CI);1-Methyl-4-isopropyl-3-(2-hydroxypropionate)cyclohexanol;Covafresh II;Frescolate ML;Menthyl lactate;p-Menthyl lactate;propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester;2-Isopropyl-5-methylcyclohexyl 2-hydroxypropanoate;5-Methyl-2-(1-methylethyl)cyclohexyl α-hydroxypropanoate;
EINECS:	241-218-8
Density:	0.99 g/cm³
Boiling Point:	304 °C at 760 mmHg
Flash Point:	116 °C
PSA:	46.53000
LogP:	2.37120

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Specification

The Menthyl lactate, with the CAS registry number 17162-29-7 and EINECS registry number 241-218-8, has the systematic name of 5-methyl-2-(propan-2-yl)cyclohexyl 2-hydroxypropanoate. It is also called propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester. And the molecular formula of the chemical is C₁₃H₂₄O₃.

The characteristics of Menthyl lactate are as followings: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 3.2; (5)ACD/BCF (pH 5.5): 160.23; (6)ACD/BCF (pH 7.4): 160.23; (7)ACD/KOC (pH 5.5): 1317.53; (8)ACD/KOC (pH 7.4): 1317.53; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 63.47 cm³; (15)Molar Volume: 228.4 cm³; (16)Polarizability: 25.16×10^-24cm³; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 0.99 g/cm³; (19)Flash Point: 116 °C; (20)Enthalpy of Vaporization: 63.13 kJ/mol; (21)Boiling Point: 304 °C at 760 mmHg; (22)Vapour Pressure: 8.58E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC1CC(CCC1C(C)C)C)C(O)C
(2)InChI: InChI=1/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
(3)InChIKey: UJNOLBSYLSYIBM-UHFFFAOYAX