Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester

Base Information

• Chemical Name: Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester
• CAS No.: 17162-29-7
• Molecular Formula: C13H24O3
• Molecular Weight: 228.332
• Hs Code.: 2918110000
• European Community (EC) Number: 261-678-3,241-218-8
• DSSTox Substance ID: DTXSID00864740
• Nikkaji Number: J318.165K
• RXCUI: 1310581
• Mol file: 17162-29-7.mol

Synonyms:l-menthyl lactate

Chemical Property of Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester

Chemical Property:

• Vapor Pressure: 8.58E-05mmHg at 25°C
• Refractive Index: 1.467
• Boiling Point: 304 °C at 760 mmHg
• PKA: 13.01±0.20(Predicted)
• Flash Point: 116 °C
• PSA: 46.53000
• Density: 0.99 g/cm³
• LogP: 2.37120
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 228.17254462
• Heavy Atom Count: 16
• Complexity: 237

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(C(C1)OC(=O)C(C)O)C(C)C
• Uses: menthyl lactate is a fragrance component. This is the ester of menthol and lactic acid.

Technology Process of Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester

There total 7 articles about Propanoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

→ lactic acid 1-menthyl ester (17162-29-7,185915-25-7)

Guidance literature:

In ethanol; water; at 5 - 9 ℃; for 1.33333h; Purification / work up;

Reference yield: 80.0%

L-Lactic acid (79-33-4,106989-11-1,26811-96-1,31587-11-8,26100-51-6) + menthol (89-78-1) → (S)-menthyl lactate (17162-29-7,185915-25-7)

Guidance literature:

With toluene-4-sulfonic acid; In cyclohexane; at 95 ℃; for 6h;

Reference yield:

2-Oxo-propionic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester (951-98-4) → (-)-menthyl lactate (17162-29-7,61597-98-6,59259-38-0,185915-25-7)

Guidance literature:

With 1-naphthylphenylsilane; Rh catalyst; In benzene;

DOI:10.1021/jo00430a001

upstream raw materials:

L-Lactic acid

menthol

LACTIC ACID

(-)-menthol

Downstream raw materials:

C₁₅H₂₆O₄

(R)-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] 2-(2-iodophenoxy)propanoate

Refernces

• 1、 Boireau, G.,Deberly, A.. "Highly diastereoselective reduction of (-) menthylphenylglyoxalate and (-) menthylpyruvate using new hindered lithiumtrialkoxyaluminohydrides". . p. 771 - 774. Retrieved 1991.
• 2、 -. "Method for stabilizing menthyl lactate". Page/Page column 6; 7. . Retrieved 2008/12/05.