(E)-3-Methyl-3-hexene

Base Information

• Chemical Name: (E)-3-Methyl-3-hexene
• CAS No.: 3899-36-3
• Molecular Formula: C7H14
• Molecular Weight: 98.1882
• European Community (EC) Number: 685-910-1
• NSC Number: 73934
• DSSTox Substance ID: DTXSID80873234
• Nikkaji Number: J235.969C,J100.681I
• Wikidata: Q76304592
• Mol file: 3899-36-3.mol

Synonyms:(E)-3-Methyl-3-hexene;(E)-3-methylhex-3-ene;3-Methyl-3-hexene;3899-36-3;3-Hexene, 3-methyl-, (E)-;3-Hexene, 3-methyl;Chilte;3-Methyl-trans-3-hexene;3-Methyl-2-hexene (c,t);DTXSID80873234;FHHSSXNRVNXTBG-UHFFFAOYSA-N;FHHSSXNRVNXTBG-VOTSOKGWSA-N;3404-65-7;NSC73934;NSC 73934;NSC-73934;AKOS006275682;LS-2515;CHILTE (CNIDOSCOLUS (ALSO KNOWN AS JATROPHA) SPP.)

Chemical Property of (E)-3-Methyl-3-hexene

Chemical Property:

• Vapor Pressure: 56.4mmHg at 25°C
• Melting Point: -124.4°C (estimate)
• Refractive Index: 1.4082
• Boiling Point: 93.4°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 0.714g/cm³
• LogP: 2.75270
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 98.109550447
• Heavy Atom Count: 7
• Complexity: 60.4

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (E)-3-Methyl-3-hexene

There total 4 articles about (E)-3-Methyl-3-hexene 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:

isopropyl alcohol (67-63-0,8013-70-5) → 2-methyl-2-pentene (625-27-4) + 2-methyl-but-2-ene (513-35-9) + trans-3-methyl-3-heptene (22768-18-9) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + 3-Methyl-cis-2-penten (922-62-3) + (Z)-3,4-dimethyl-2-pentene (4914-91-4) + 3,5-dimethyl-hex-2-ene (66225-12-5,3404-79-3) + (E)-3-methyl-3-hexene (3899-36-3) + 2-Methyl-1-butene (563-46-2) + isobutene (115-11-7,15220-85-6)

Guidance literature:

With zeolite ZSM-5; at 400 ℃; for 250h; under 15201 Torr; Fixed bed reactor;

DOI:10.1021/ja907692t

Reference yield:

(E)-3-methyl-1,3-hexadiene (105247-06-1) → 3-methyl-hexane (589-34-4) + (E)-3-Methyl-hex-2-ene (20710-38-7) + (Z)-3-methyl-3-hexene (4914-89-0) + (E)-3-methyl-3-hexene (3899-36-3)

Guidance literature:

With hydrogen; silica-supported dendrimer-palladium complex (G₁-C₆-Pd); In methanol; at 25 ℃; for 3h; under 724.007 Torr; Title compound not separated from byproducts;

DOI:10.1002/adsc.200505236

Reference yield:

hex-3-yne (928-49-4) + dimethyl sulfate (77-78-1) → trans-3,4-Dimethyl-3-hexene (19550-88-0) + (E)-3-methyl-3-hexene (3899-36-3)

Guidance literature:

With lithium; Yield given. Multistep reaction. Yields of byproduct given; 1.) Et₂O, r.t.; 2.) Et₂O, -40 deg C to r.t.;

DOI:10.1016/S0040-4020(01)85287-X

upstream raw materials:

hex-3-yne

dimethyl sulfate

(E)-3-methyl-1,3-hexadiene

isopropyl alcohol