Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl-

Base Information

• Chemical Name: Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl-
• CAS No.: 96-06-0
• Molecular Formula: C8H16 O
• Molecular Weight: 128.214
• Hs Code.: 2910900090
• DSSTox Substance ID: DTXSID30914702
• Nikkaji Number: J1.247.247A
• Mol file: 96-06-0.mol

Synonyms:96-06-0;2,3-Epoxy-2,4,4-trimethylpentane;Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl-;3-tert-butyl-2,2-dimethyloxirane;2,4,4-Trimethyl-2-pentene oxide;2,3-Epoxy-2,4,4-trimethyl pentane;Pentane, 2,3-epoxy-2,4,4-trimethyl-;3-(1,1-Dimethylethyl)-2,2-dimethyloxirane;SCHEMBL5571024;DTXSID30914702

Chemical Property of Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl-

Chemical Property:

• Vapor Pressure: 19mmHg at 25°C
• Boiling Point: 119.5°Cat760mmHg
• Flash Point: 23.6°C
• PSA: 12.53000
• Density: 0.86g/cm³
• LogP: 2.20990
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(O1)C(C)(C)C)C

Technology Process of Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl-

There total 3 articles about Oxirane, 3-(1,1-dimethylethyl)-2,2-dimethyl- 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:

2,2,4-trimethylpentane (540-84-1) → 2,3-epoxy-2,4,4-trimethylpentane (96-06-0) + 2,2,4,4-Tetramethyltetrahydrofuran (3358-28-9) + 2-tert.-Butyl-3-methyl-oxetan (7045-82-1) + 2,4,4-trimethyl-1-pentene (107-39-1) + 2,2-dimethyl-3-pentanone (564-04-5) + 2,4,4-trimethylpent-2-ene (107-40-4)

Guidance literature:

With oxygen; at 299.9 ℃; Kinetics; Mechanism; Product distribution; a.) other temp., b.) with initiators; velocity constants;

Reference yield:

2,4,4-trimethylpent-2-ene (107-40-4) + pivalaldehyde (630-19-3) → 2,3-epoxy-2,4,4-trimethylpentane (96-06-0) + tert.-butylhydroperoxide (75-91-2) + carbon dioxide (124-38-9,18923-20-1) + tert-butyl alcohol (75-65-0) + Trimethylacetic acid (75-98-9)

Guidance literature:

With oxygen; In 1,2-dichloro-ethane; at 40 ℃; for 19h; under 760 Torr; Product distribution; Mechanism; further olefines;

DOI:10.1016/0040-4039(94)88247-9

Reference yield:

2,4,4-trimethylpent-2-ene (107-40-4) → 2,3-epoxy-2,4,4-trimethylpentane (96-06-0) + (2E)-2,4,4-trimethylpent-2-en-1-ol (51483-32-0) + 2,3-Dihydroxy-2,4,4-trimethylpentan (64512-96-5) + 2,5,5-trimethyl-1-penten-3-ol (7432-48-6) + (Z)-2,4,4-Trimethylpent-2-en-1-ol (51483-31-9) + isopropyl alcohol (67-63-0,8013-70-5)

Guidance literature:

With lithium aluminium tetrahydride; oxygen; Product distribution; multistep reaction: 1) 85 deg C, 101,3 kPa, 30 h;

upstream raw materials:

2,2,4-trimethylpentane

2,4,4-trimethylpent-2-ene

pivalaldehyde

Downstream raw materials:

pivalaldehyde

2,4,4-trimethyl-2-pentanol

2,2,4-trimethyl-3-pentanol

2,2,3,3-tetramethylbutan-1-ol

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