Butyl 9,10-epoxystearate

Base Information

• Chemical Name: Butyl 9,10-epoxystearate
• CAS No.: 106-83-2
• Deprecated CAS: 69430-58-6
• Molecular Formula: C22H42 O3
• Molecular Weight: 354.574
• Hs Code.: 2918990090
• European Community (EC) Number: 203-434-0
• NSC Number: 15496
• DSSTox Substance ID: DTXSID00883299
• Nikkaji Number: J49.700B
• Mol file: 106-83-2.mol

Synonyms:Butyl epoxystearate;BUTYL 9,10-EPOXYSTEARATE;106-83-2;butyl 8-(3-octyloxiran-2-yl)octanoate;n-Butyl epoxystearate;Butylepoxystearate;Truflex E 74;Butyl-9,10-epoxystearate;Butyl epoxystearate (VAN);Butyl 9,10-epoxyoctadecanoate;Butyl 3-octyloxiran-2-octanoate;9,10 Epoxyoctadecanoic acid, butyl ester;HSDB 2889;EINECS 203-434-0;NSC 15496;9,10-Epoxystearic acid, butyl ester;BRN 1385326;UNII-T3RIE242I9;9,10-Epoxyoctadecanoic acid, butyl ester;Oxiraneoctanoic acid, 3-octyl-, butyl ester;Octadecanoic acid, 9,10-epoxy-, butyl ester;2-Oxiraneoctanoic acid, 3-octyl-, butyl ester;5-18-06-00056 (Beilstein Handbook Reference);9, butyl ester;Truflex E-74;butyl-3-octyloxiran-2-octanoat;SCHEMBL5267491;T3RIE242I9;WLN: T3OTJ B8 C7VO4;DTXSID00883299;Oxiraneoctanoic acid, butyl ester;NSC15496;9,10-Epoxystearic acid butyl ester;NSC-15496;LS-97697;Octadecanoic acid,10-epoxy-, butyl ester

Chemical Property of Butyl 9,10-epoxystearate

Chemical Property:

• Vapor Pressure: 1.47E-07mmHg at 25°C
• Refractive Index: 1.456
• Boiling Point: 428.8°Cat760mmHg
• Flash Point: 163.2°C
• PSA: 38.83000
• Density: 0.916g/cm³
• LogP: 6.57840
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 354.31339520
• Heavy Atom Count: 25
• Complexity: 316

Purity/Quality:

98%,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: CCCCCCCCC1C(O1)CCCCCCCC(=O)OCCCC

Technology Process of Butyl 9,10-epoxystearate

There total 3 articles about Butyl 9,10-epoxystearate 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:

oleic acid butyl ester (142-77-8) → butyl 8-(3-octyloxiran-2-yl)octanoate (106-83-2)

Guidance literature:

With formic acid; dihydrogen peroxide; In water; at 50 ℃; for 6h;

DOI:10.1039/c7gc00867h

Reference yield:

cis-Octadecenoic acid (112-80-1,2027-47-6) → butyl 8-(3-octyloxiran-2-yl)octanoate (106-83-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; sodium sulfate / 1.25 h / 130 °C

2: formic acid; dihydrogen peroxide / water / 6 h / 50 °C

With formic acid; sulfuric acid; dihydrogen peroxide; sodium sulfate; In water;

DOI:10.1039/c7gc00867h

Reference yield:

→ butyl 8-(3-octyloxiran-2-yl)octanoate (106-83-2)

Guidance literature:

entspr. Na-Alkoholat, Triepoxyolein;

upstream raw materials:

cis-Octadecenoic acid

oleic acid butyl ester

Downstream raw materials:

butyl 9,10-dihydroxyoctadecanoate

Refernces