Cetyl stearate

Base Information

• Chemical Name: Cetyl stearate
• CAS No.: 1190-63-2
• Deprecated CAS: 124487-61-2
• Molecular Formula: C34H68 O2
• Molecular Weight: 508.913
• Hs Code.: 2915709000
• European Community (EC) Number: 214-724-1
• UNII: 06RI5UQA7L
• DSSTox Substance ID: DTXSID5061586
• Nikkaji Number: J24.703K
• Wikidata: Q27145433
• RXCUI: 1425221
• Metabolomics Workbench ID: 3693
• Mol file: 1190-63-2.mol

Synonyms:Cetyl stearate;Hexadecyl octadecanoate;Palmityl stearate;1190-63-2;Octadecanoic acid, hexadecyl ester;Hexadecyl stearate;n-Hexadecyl stearate;hexadecanyl octadecanoate;Stearic acid, hexadecyl ester;1-Hexadecyloctadecanoate;UNII-06RI5UQA7L;stearic acid hexadecyl ester;06RI5UQA7L;WE(16:0/18:0);EINECS 214-724-1;124487-61-2;Schercemol CS;Wickenol 121;cetyl alcohol stearate;Stearic acid cetyl ester;SCHEMBL60589;CETYL STEARATE [INCI];OCTADECANOATE, HEXADECYL;DTXSID5061586;CHEBI:75631;Octadecanoic Acid Hexadecyl Ester;hexadecan-1-ol octadecanoate ester;LMFA07010048;Octadecanoic acid, 1-hexadecyl ester;AKOS030239819;BP-29813;Q27145433;Hexadecyl octadecanoate, 1-Hexadecyloctadecanoate, stearic acid cetyl ester, Octadecanoic acid

Chemical Property of Cetyl stearate

Chemical Property:

• Vapor Pressure: 2.99E-11mmHg at 25°C
• Melting Point: 57°C
• Refractive Index: 1.456
• Boiling Point: 528.4°Cat760mmHg
• Flash Point: 283.6°C
• PSA: 26.30000
• Density: 0.857g/cm³
• LogP: 12.27240
• Storage Temp.: −20°C
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 16.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 32
• Exact Mass: 508.52193141
• Heavy Atom Count: 36
• Complexity: 406

Purity/Quality:

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

Cetyl Stearate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Stearates
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC
• Uses: Cetyl Stearate is a wax ester of stearic acid. Wax esters are esters between long chained fatty alcohols and fatty acids. Wax esters have significance in pharmaceutical and cosmetics applications and occur naturally in plants and animals. Stearate esters are used most frequently in the formulation of eye makeup, skin makeup, lipstick and skin care products. Cetyl Stearate is a wax ester of stearic acid. Wax esters are esters between long chained fatty alcohols and fatty acids. Wax esters have significance in pharmaceutical and cosmetics applications and occur naturally in plants and animals. Stearate esters are used most frequently in the formulation of eye makeup, skin makeup, lipstick and skin care products.

Technology Process of Cetyl stearate

There total 4 articles about Cetyl stearate 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: 96.0%

1-Hexadecanol (36653-82-4,124-29-8) + stearic acid (57-11-4) → hexadecyl stearate (1190-63-2,124487-61-2)

Guidance literature:

With choline chloride; zinc(II) chloride; at 110 ℃; for 12h;

DOI:10.1016/j.tetlet.2007.07.159

Reference yield:

1-Hexadecanol (36653-82-4,124-29-8) + Stearoyl chloride (112-76-5) → hexadecyl stearate (1190-63-2,124487-61-2)

Guidance literature:

With pyridine;

DOI:10.1021/ja01134a025 DOI:10.1021/ja01155a116

Reference yield:

1-iodohexadecane (544-77-4) + silver(1+) stearate (3507-99-1) → hexadecyl stearate (1190-63-2,124487-61-2)

Guidance literature:

upstream raw materials:

1-iodohexadecane

silver⁽¹⁺⁾ stearate

1-Hexadecanol

stearic acid

Downstream raw materials:

Methyl linoleate

Methyl stearate

hexadecanyl bromide

1-iodohexadecane

Refernces

• 1、 Crowe,Smyth. "-". . p. 5406,5407. Retrieved 1951.
• 2、 Mantri, Kshudiram,Komura, Kenichi,Sugi, Yoshihiro. "Efficient esterification of long chain aliphatic carboxylic acids with alcohols over ZrOCl2·8H2O catalyst". . p. 1939 - 1944. Retrieved 2005.
• 3、 Chakraborti, Asit K.,Singh, Bavneet,Chankeshwara, Sunay V.,Patel, Alpesh R.. "Protic acid immobilized on solid support as an extremely efficient recyclable catalyst system for a direct and atom economical esterification of carboxylic acids with alcohols". supporting information; experimental part. p. 5967 - 5974. Retrieved 2009/12/24.
• 4、 -. "PROCESS FOR PRODUCING CARBOXYLIC ACID ESTER AND ESTERIFICATION CATALYST". Page/Page column 21-22. . Retrieved 2008/06/13.