Butyl stearate

Base Information

• Chemical Name: Butyl stearate
• CAS No.: 123-95-5
• Deprecated CAS: 8047-75-4
• Molecular Formula: C22H44O2
• Molecular Weight: 340.59
• Hs Code.: H3(CH2)14COO(CH2)3CH3
• European Community (EC) Number: 204-666-5
• NSC Number: 4820
• UNII: 6Y0AI5605C
• DSSTox Substance ID: DTXSID5027013
• Nikkaji Number: J10.059E
• Wikidata: Q10442124
• NCI Thesaurus Code: C77456
• Metabolomics Workbench ID: 48972
• Mol file: 123-95-5.mol

Synonyms:butyl stearate;n-butyl stearate

Chemical Property of Butyl stearate

Chemical Property:

• Appearance/Colour: low melting solid or liquid
• Melting Point: 18-23 °C
• Refractive Index: NFPA RATINGS
• Boiling Point: 388.9 °C at 760 mmHg
• Flash Point: 193.5 °C
• PSA: 26.30000
• Density: 0.861 g/cm³
• LogP: 7.59120
• XLogP3: 9.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 20
• Exact Mass: 340.334130642
• Heavy Atom Count: 24
• Complexity: 250

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:
• Safety Statements: S26:; S36:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Stearates
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCC

Technology Process of Butyl stearate

There total 11 articles about Butyl 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: 100.0%

Methyl stearate (112-61-8) + butan-1-ol (71-36-3) → n-butyl stearate (123-95-5)

Guidance literature:

With C₁₂H₂₅InN₂O₂S₂; for 19h; Reagent/catalyst; Reflux;

DOI:10.1016/j.poly.2017.06.053

Reference yield: 98.0%

stearic acid (57-11-4) + butan-1-ol (71-36-3) → n-butyl stearate (123-95-5)

Guidance literature:

With nano sulfated-TiO₂; In neat (no solvent); at 80 ℃; for 1.5h; under 760.051 Torr;

DOI:10.1016/j.crci.2012.10.016

Reference yield: 0.85%

Stearoyl chloride (112-76-5) + butan-1-ol (71-36-3) → n-butyl stearate (123-95-5)

Guidance literature:

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

upstream raw materials:

1-iodo-butane

silver⁽¹⁺⁾ stearate

stearic acid

butan-1-ol

Downstream raw materials:

1-octadecanol

sec-Butylbenzene

Methyl stearate

sodium stearate

Refernces

• 1、 Kuzminska, Maryna,Kovalchuk, Tetyana V.,Backov, Rénal,Gaigneaux, Eric M.. "Immobilizing heteropolyacids on zirconia-modified silica as catalysts for oleochemistry transesterification and esterification reactions". . p. 1 - 8. Retrieved 2014.
• 2、 Shi, Yingxia,Liang, Xuezheng. "Robust acidic pseudo-ionic liquid catalyst with self-separation ability for esterification and acetalization". . p. 1413 - 1421. Retrieved 2019/05/04.
• 3、 Briand, Glen G.,Decken, Andreas,Shannon, Whitney E.M.M.,Trevors, Eric E.. "Synthesis, structural characterization, and reactivity of (thiolato)bismuth complexes as potential water-tolerant Lewis acid catalysts". . p. 561 - 569. Retrieved 2018/06/07.