3-Hexene, 2,2-dimethyl-

Base Information

• Chemical Name: 3-Hexene, 2,2-dimethyl-
• CAS No.: 690-93-7
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• Hs Code.: 2901299090
• European Community (EC) Number: 221-504-9
• NSC Number: 74166
• DSSTox Substance ID: DTXSID9062853,DTXSID40896843
• Nikkaji Number: J43.398E,J217.280A
• Wikidata: Q76304977
• Mol file: 690-93-7.mol

Synonyms:3-Hexene, 2,2-dimethyl-;trans-2,2-Dimethyl-3-hexene;(E)-2,2-Dimethyl-3-hexene;3123-93-1;2,2-Dimethyl-3-hexene;690-93-7;3-Hexene, 2,2-dimethyl-, (E)-;(E)-2,2-dimethylhex-3-ene;2,2-Dimethylhexene-3;EINECS 221-504-9;NSC 74166;2,2-Dimethyl-trans-3-hexene;NSC74166;5,5-Dimethyl-3-hexene;2,2-Dimethyl-3-hexene trans;(E)-2,2-Dimethyl 3-hexene;DTXSID9062853;(3E)-2,2-Dimethyl-3-hexene;3-Hexene,2-dimethyl-, (E)-;DTXSID40896843;JPLZSSHKQZJYTJ-VOTSOKGWSA-N;NSC-74166;AKOS024429418

Chemical Property of 3-Hexene, 2,2-dimethyl-

Chemical Property:

• Melting Point: -103.01°C (estimate)
• Refractive Index: 1.4037
• Boiling Point: 100.85°C
• PSA: 0.00000
• Density: 0.6995
• LogP: 2.99870
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 72.5

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC=CC(C)(C)C
• Isomeric SMILES: CC/C=C/C(C)(C)C

Technology Process of 3-Hexene, 2,2-dimethyl-

There total 5 articles about 3-Hexene, 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:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) → 2,4,4-trimethyl-1-pentene (107-39-1) + trans-5,5-dimethyl-2-hexene (39782-43-9) + 2,4,4-trimethylpent-2-ene (107-40-4) + (E)-2,2-dimethyl-3-hexene (690-93-7)

Guidance literature:

In diethyl ether; at 22 ℃; for 3h; Yield given. Yields of byproduct given;

DOI:10.1021/ja00396a025

Reference yield:

1-butylene (106-98-9,9003-28-5) + isobutene (115-11-7,15220-85-6) → 2,4,4-trimethyl-1-pentene (107-39-1) + 2,4,4-trimethylpent-2-ene (107-40-4) + (E)-2,2-dimethyl-3-hexene (690-93-7) + 2,3-dimethyl-2-hexene (7145-20-2) + 5,5-dimethyl-hex-2-ene (36382-10-2) + 2,3-dimethyl-1-hexene (16746-86-4)

Guidance literature:

With ion-exchanger-resin OK 80; at 80 ℃; Product distribution;

Reference yield:

W(CH-t-Bu)(N-2,6-diisopropylphenyl)(hexafluoro-tert-butoxide)2 (101249-40-5) + cis-3-hexene (7642-09-3) → W(CHC2H5){NC6H3(C3H7)2}{OCCH3(CF3)2}2 (101249-42-7) + (E)-2,2-dimethyl-3-hexene (690-93-7)

Guidance literature:

In not given; W(CH-t-Bu)(NC6H3-i-Pr2)(OCMe(CF3)2)2 with 20 equiv. of cis-3-hexane;

DOI:10.1021/ja00270a056

upstream raw materials:

acetic acid-(1-ethyl-3,3-dimethyl-butyl ester)

dithiocarbonic acid O-(1-ethyl-3,3-dimethyl-butyl ester)-S-methyl ester

1-butylene

isobutene

Downstream raw materials:

2,2-dimethylhexane

cis-5,5-Dimethyl-hexen-(2)

trans-5,5-dimethyl-2-hexene

cis-2,2-dimethyl-3-hexene

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