Isobutyl stearate

Base Information

• Chemical Name: Isobutyl stearate
• CAS No.: 646-13-9
• Molecular Formula: C22H44O2
• Molecular Weight: 340.59
• Hs Code.: 2915709000
• European Community (EC) Number: 211-466-1
• UNII: V8DPR6HNX3
• DSSTox Substance ID: DTXSID9027285
• Nikkaji Number: J95.901D
• Wikidata: Q27291666
• Mol file: 646-13-9.mol

Synonyms:ISOBUTYL STEARATE;646-13-9;2-Methylpropyl octadecanoate;Octadecanoic acid, 2-methylpropyl ester;Stearic acid, isobutyl ester;isobutyl octadecanoate;HSDB 2177;EINECS 211-466-1;UNII-V8DPR6HNX3;V8DPR6HNX3;Stearic acid isobutyl ester;BRN 1792857;Stearic acid, 2-methylpropyl ester;Octadecanoic acid 2-methylpropyl ester;3-02-00-01017 (Beilstein Handbook Reference);Uniflex IBYS;Kessco IBS;Kemester 5415;Emerest 2324;Estol 1476;SCHEMBL33706;Isobutyl stearate, AldrichCPR;ISOBUTYL STEARATE [MI];DTXSID9027285;ISOBUTYL STEARATE [HSDB];ISOBUTYL STEARATE [INCI];STL417837;AKOS015901564;LS-146681;FT-0696997;Q27291666;(2E)-3-(9-ETHYL-9H-CARBAZOL-3-YL)ACRYLICACID;Octadecanoic acid, isobutyl ester (Stearic acid, isobutyl ester;Isobutyl stearate)

Chemical Property of Isobutyl stearate

Chemical Property:

• Appearance/Colour: Waxy, crystalline solid.
• Vapor Pressure: 5.07E-06mmHg at 25°C
• Melting Point: 20ºC
• Refractive Index: 1.447
• Boiling Point: 381.5 °C at 760 mmHg
• Flash Point: 187.7 °C
• PSA: 26.30000
• Density: 0.861 g/cm³
• LogP: 7.44710
• Storage Temp.: Store below +30°C.
• XLogP3: 9.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 19
• Exact Mass: 340.334130642
• Heavy Atom Count: 24
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Stearates
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(C)C
• Uses: Waterproof coatings, polishes, face creams, rouges, ointments, soaps, rubber manufacture, dye solutions, inks, lubricants.

Technology Process of Isobutyl stearate

There total 3 articles about Isobutyl 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: 0.88%

2-methyl-propan-1-ol (78-83-1) + Stearoyl chloride (112-76-5) → octadecanoic acid, 2-methylpropyl ester (646-13-9)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 4 ℃; for 2h;

Reference yield:

Priolube 1414 (10024-47-2) → octadecanoic acid, 2-methylpropyl ester (646-13-9)

Guidance literature:

With hydrogen; nickel; at 180 - 200 ℃;

Reference yield:

2-methyl-propan-1-ol (78-83-1) + stearic acid (57-11-4) → octadecanoic acid, 2-methylpropyl ester (646-13-9)

Guidance literature:

With sulfuric acid; In benzene; Heating;

upstream raw materials:

Priolube 1414

2-methyl-propan-1-ol

stearic acid

Stearoyl chloride

Refernces