12-Acetoxystearic acid

Base Information

• Chemical Name: 12-Acetoxystearic acid
• CAS No.: 1069-92-7
• Molecular Formula: C₂₀H₃₈O₄
• Molecular Weight: 342.519
• Hs Code.: 2918990090
• UNII: 267DEU129C
• DSSTox Substance ID: DTXSID80276069
• Nikkaji Number: J22.480D
• Wikidata: Q27254060
• Mol file: 1069-92-7.mol

Synonyms:12-acetoxystearic acid;12-acetyloxyoctadecanoic Acid;12-Acetyloxystearic acid;1069-92-7;12-Hydroxystearic acid acetate;12-(Acetyloxy)octadecanoic acid;267DEU129C;Octadecanoic acid, 12-(acetyloxy)-;Octadecanoic acid, 12-hydroxy-, acetate;UNII-267DEU129C;SCHEMBL450282;DTXSID80276069;Q27254060

Chemical Property of 12-Acetoxystearic acid

Chemical Property:

• PSA: 63.60000
• LogP: 5.87410
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 342.27700969
• Heavy Atom Count: 24
• Complexity: 315

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC(CCCCCCCCCCC(=O)O)OC(=O)C

Technology Process of 12-Acetoxystearic acid

There total 3 articles about 12-Acetoxystearic acid 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:

12-Hydroxystearic acid (106-14-9,78642-86-1,8039-23-4,27924-99-8,860114-96-1) + acetic anhydride (108-24-7) → 12-Acetoxystearinsaeure (1069-92-7)

Guidance literature:

at 160 ℃; for 1h; under 760.051 Torr; Product distribution / selectivity;

Reference yield:

12-Acetoxy-octadecanoic acid (E)-1-methyl-3-phenyl-allyl ester (125259-12-3) → 12-Acetoxystearinsaeure (1069-92-7) + trans-3-(Methylthio)-1-phenyl-1-butene (40486-72-4)

Guidance literature:

With boron trifluoride diethyl etherate; dimethylthio-dimethyl-tin; acetic acid; Yield given. Multistep reaction. Yields of byproduct given; 1.) toluene, 0 deg C, 8 h, 2.) 0 deg C, 30 min;

DOI:10.1016/S0040-4039(00)99169-X

Reference yield:

→ 12-Acetoxystearinsaeure (1069-92-7)

Guidance literature:

12-Hydroxystearinsaeure, NaOOCCH3, Essigsaeureanhydrid;

upstream raw materials:

12-Acetoxy-octadecanoic acid (E)-1-methyl-3-phenyl-allyl ester

12-Hydroxystearic acid

acetic anhydride

Refernces

• 1、 Sato, Tsueno,Otera, Junzo,Nozaki, Hitoshi. "ACTIVATION AND SYNTHETIC APPLICATION OF THIOSTANNANES. PROTECTION OF CARBOXYL GROUPS WITH α-METHYLCINNAMYL ALCOHOL AS A MEANS OF CHEMODIFFERENTIATION AND SELECTIVE ACTIVATION". . p. 2959 - 2962. Retrieved 2007/10/02.