Benzoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1alpha,2beta,5alpha)-

Base Information

• Chemical Name: Benzoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1alpha,2beta,5alpha)-
• CAS No.: 89-46-3
• Molecular Formula: C₁₇H₂₄O₃
• Molecular Weight: 276.376
• European Community (EC) Number: 201-909-7
• Nikkaji Number: J276.316H
• NCI Thesaurus Code: C83929
• RXCUI: 1368207
• Mol file: 89-46-3.mol

Synonyms:MENTHYL SALICYLATE;Benzoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1.alpha.,2.beta.,5.alpha.)-;2-Hydroxybenzoic acid (1S)-5alpha-methyl-2beta-isopropylcyclohexane-1alpha-yl ester

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

Chemical Property:

• Appearance/Colour: colourless to light yellow liquid
• Melting Point: <25 °C
• Refractive Index: n20/D 1.52
• Boiling Point: 362 °C at 760 mmHg
• PKA: 8.10±0.30(Predicted)
• Flash Point: 140.4 °C
• PSA: 46.53000
• Density: 1.04 g/mL at 20 °C(lit.)
• LogP: 4.00980
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 276.17254462
• Heavy Atom Count: 20
• Complexity: 326

Purity/Quality:

98%,99%, ^*data from raw suppliers

Menthyl salicylate mixture of isomers ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1CCC(C(C1)OC(=O)C2=CC=CC=C2O)C(C)C
• Isomeric SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)C2=CC=CC=C2O)C(C)C
• Uses: As a "sun screen" to filter out ultraviolet light in Preparations for preventing sunburn. light stabilizer

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

There total 3 articles about Benzoic acid, 2-hydroxy-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1alpha,2beta,5alpha)- 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:

(-)-menthol (2216-51-5) + salicylic acid (69-72-7,25496-36-0,8052-31-1) → menthyl salicylate (109423-22-5,89-46-3,93966-39-3)

Guidance literature:

salicylic acid l-menthyl ester; unter Durchleiten eines Gasstromes;

Reference yield:

(-)-menthol (2216-51-5) + salicyloyl chloride (1441-87-8) → menthyl salicylate (109423-22-5,89-46-3,93966-39-3)

Guidance literature:

-salicylate;

DOI:10.1007/BF03016838

Reference yield:

→ menthyl salicylate (138876-17-2,89-46-3,93966-39-3)

Guidance literature:

upstream raw materials:

(-)-menthol

salicylic acid

salicyloyl chloride

Downstream raw materials:

2-acetoxy-benzoic acid-((1R)-menthyl ester)

Refernces

• 1、 -. "Transparent cosmetic composition that reflects infrared radiation and its use for protecting the human epidermis against infrared radiation". . . Retrieved 2008/06/13.