((Octyloxy)methyl)oxirane

Base Information

• Chemical Name: ((Octyloxy)methyl)oxirane
• CAS No.: 3385-66-8
• Molecular Formula: C11H22 O2
• Molecular Weight: 186.294
• Hs Code.: 2910900090
• European Community (EC) Number: 222-199-5
• NSC Number: 86982
• UNII: 9ER4EA0DYH
• DSSTox Substance ID: DTXSID40867371
• Nikkaji Number: J205.474D
• Wikidata: Q27272456
• Mol file: 3385-66-8.mol

Synonyms:((Octyloxy)methyl)oxirane;3385-66-8;[(Octyloxy)methyl]oxirane;octyl glycidyl ether;Glycidyl n-octyl ether;Oxirane, ((octyloxy)methyl)-;9ER4EA0DYH;2-((octyloxy)methyl)oxirane;2-[(octyloxy)methyl]oxirane;EINECS 222-199-5;NSC 86982;NSC-86982;2-(octoxymethyl)oxirane;octylglycidyl ether;NSC86982;n-octyl glycidyl ether;1-octyl glycidyl ether;UNII-9ER4EA0DYH;SCHEMBL111093;3-n-octyloxy-1,2-epoxypropane;DTXSID40867371;XY-746;AKOS009075737;1,2-EPOXY-3-(OCTYLOXY)PROPANE;OXIRANE, 2-((OCTYLOXY)METHYL)-;GLYCIDYL N-OCTYL ETHER, (+/-)-;Q27272456

Chemical Property of ((Octyloxy)methyl)oxirane

Chemical Property:

• Vapor Pressure: 0.0504mmHg at 25°C
• Boiling Point: 243.3°Cat760mmHg
• Flash Point: 104.5°C
• PSA: 21.76000
• Density: 0.914g/cm³
• LogP: 2.76230
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 186.161979940
• Heavy Atom Count: 13
• Complexity: 115

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCOCC1CO1

Technology Process of ((Octyloxy)methyl)oxirane

There total 14 articles about ((Octyloxy)methyl)oxirane 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: 95.0%

octanol (111-87-5) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → octyl glycidyl ether (3385-66-8,121906-45-4)

Guidance literature:

With potassium hydroxide; In various solvent(s); for 10h; Ambient temperature;

Reference yield: 88.0%

octanol (111-87-5) + 1,2-Epoxy-3-bromopropane (3132-64-7,82584-73-4) → octyl glycidyl ether (3385-66-8,121906-45-4)

Guidance literature:

With sodium carbonate; In hexane; water; at 60 ℃; for 4h;

DOI:10.1080/00397919408011315

Reference yield: 62.0%

allyl octyl ether (3295-97-4) → octyl glycidyl ether (3385-66-8,121906-45-4) + octanol (111-87-5)

Guidance literature:

With dihydrogen peroxide; In methanol; water; acetonitrile; at 40 ℃; for 67h; chemoselective reaction;

DOI:10.1002/ejoc.202000249

upstream raw materials:

1-chloro-3-octyloxy-propan-2-ol

octanol

epichlorohydrin

1,2-Epoxy-3-bromopropane

Downstream raw materials:

C₁₁H₂₃O₆S^(1-)*Na⁽¹⁺⁾

1-(bis(2-hydroxyethyl)amino)-3-(octyloxy)propan-2-ol

3-octyloxy-1,2-propanediol

1-(2-Hydroxy-3-octyloxy-propoxy)-3-octyloxy-propan-2-ol

Refernces

• 1、 Reddy,Rao,Karuna,Kumar,Murthy,Prasad. "Chemo-enzymatic synthesis and antimicrobial evaluation of alkyloxy propanol amine-based cationic ether lipids". . p. 437 - 448. Retrieved 2013/07/27.
• 2、 Peng, Zhongli,Lu, Caifeng,Xu, Minling. "Influence of substructures on the spreading ability and hydrolysis resistance of double-tail trisiloxane surfactants". scheme or table. p. 75 - 81. Retrieved 2012/01/05.