Homosalate

Base Information

• Chemical Name: Homosalate
• CAS No.: 118-56-9
• Deprecated CAS: 50610-40-7,52253-93-7,8045-71-4,194304-23-9,194304-23-9,52253-93-7,8045-71-4
• Molecular Formula: C16H22O3
• Molecular Weight: 262.349
• Hs Code.: 29182300
• European Community (EC) Number: 204-260-8
• NSC Number: 758908,164918
• UNII: V06SV4M95S
• DSSTox Substance ID: DTXSID1026241
• Nikkaji Number: J5.301E
• Wikipedia: Homosalate
• Wikidata: Q2260189
• NCI Thesaurus Code: C83760
• RXCUI: 91326
• Metabolomics Workbench ID: 152431
• ChEMBL ID: CHEMBL1377575
• Mol file: 118-56-9.mol

Synonyms:3,3,5-trimethylcyclohexyl salicylate;homosalate

Chemical Property of Homosalate

Chemical Property:

• Appearance/Colour: Viscous or light yellow to slightly tan liquid or oil
• Vapor Pressure: 4.17E-05mmHg at 25°C
• Refractive Index: 1.539
• Boiling Point: 341.1 °C at 760 mmHg
• PKA: 8.10±0.30(Predicted)
• Flash Point: 132.281 °C
• PSA: 46.53000
• Density: 1.106 g/cm³
• LogP: 3.76380
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Chloroform (Slightly), DMSO (Slightly)
• Water Solubility.: <0.1 g/100 mL at 26℃
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 262.15689456
• Heavy Atom Count: 19
• Complexity: 324

Purity/Quality:

98%min ^*data from raw suppliers

Homosalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O
• Recent ClinicalTrials: 18791 - Sun Protection Factor Assay
• Uses: Homosalate used as a UV filter in various personal skin care formulations and cosmetics. UV screen, analgesic homosalate is a chemical uVB absorber included in the FDA’s Category I Sunscreen Chemical list. Its approved usage level is 4 to 15 percent by the FDA and 10 percent by the european union’s Cosmetic Directive.

Technology Process of Homosalate

There total 2 articles about Homosalate 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: 81.1%

3,3,5-trimethylcyclohexanol (116-02-9) + methyl salicylate (119-36-8,8024-54-2) → Homosalate (118-56-9,52253-93-7)

Guidance literature:

With potassium carbonate; ammonium bromide; at 180 ℃; for 13h; Concentration; Reagent/catalyst; Temperature;

Reference yield:

→ Homosalate (118-56-9,52253-93-7)

Guidance literature:

Reference yield:

Homosalate (118-56-9,52253-93-7) → cis-2-hydroxycyclohexanecarboxylic acid 3,3,5-trimethylcyclohexyl ester + trans-2-hydroxycyclohexanecarboxylic acid 3,3,5-trimethylcyclohexyl ester

Guidance literature:

With 5% rhodium-on-charcoal; hydrogen; In water; isopropyl alcohol; at 80 ℃; under 3750.38 Torr;

upstream raw materials:

3,3,5-trimethylcyclohexanol

methyl salicylate

Refernces

• 1、 -. "Method to reduce substantivity of cloth staining caused by sunscreens". . . Retrieved 2015/11/24.
• 2、 -. "COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A MEROCYANIN SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A MEROCYANIN SCREENING AGENT". . . Retrieved 2012/11/07.