3-Methyl-3-heptene

Base Information

• Chemical Name: 3-Methyl-3-heptene
• CAS No.: 7300-03-0
• Molecular Formula: C8H16
• Molecular Weight: 112.215
• European Community (EC) Number: 257-493-2,672-623-1
• Nikkaji Number: J1.331.342C,J256.606K
• Wikidata: Q27160860
• Mol file: 7300-03-0.mol

Synonyms:3-METHYL-3-HEPTENE;(E)-3-Methylhept-3-ene;3-Heptene, 3-methyl-;7300-03-0;(E)-3-Methyl-3-heptene;3-Methyl-3-heptene (c,t);3-Methyl-3-heptene (cis,trans);51886-28-3;2-Hexene, 2-ethyl;3-Heptene, 3-methyl-, trans;CHEBI:88857;AAUHUDBDDBJONC-BQYQJAHWSA-N;EINECS 257-493-2;MFCD00048796;3-Methylheptane, didehydro derivative;Q27160860

Chemical Property of 3-Methyl-3-heptene

Chemical Property:

• Melting Point: -103.01°C (estimate)
• Refractive Index: 1.4180-1.4210
• Boiling Point: 120°Cat760mmHg
• Flash Point: 9.2°C
• PSA: 0.00000
• Density: 0.728g/cm³
• LogP: 3.14280
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 112.125200510
• Heavy Atom Count: 8
• Complexity: 70.1

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Methyl-3-heptene (cis- and trans- mixture) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CCCC=C(C)CC
• Isomeric SMILES: CCC/C=C(\C)/CC

Technology Process of 3-Methyl-3-heptene

There total 6 articles about 3-Methyl-3-heptene 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:

butyraldehyde (123-72-8) → 2-methylheptane (592-27-8) + nonane (111-84-2) + 3-methyl-hexane (589-34-4) + (E/Z)-3-methyl-3-heptene (7300-03-0)

Guidance literature:

With hydrogen; at 399.84 ℃; for 4h; under 7500.75 Torr;

DOI:10.1016/j.catcom.2011.09.022

Reference yield:

butyraldehyde (123-72-8) → hept-3-ene (592-78-9) + (E/Z)-3-methyl-3-heptene (7300-03-0)

Guidance literature:

With hydrogen; zirconium(IV) oxide; at 399.84 ℃; under 7500.75 Torr;

DOI:10.1016/j.catcom.2011.09.022

Reference yield:

1,2-hexadiene (592-44-9) + dimethyl sulfate (77-78-1) → (E/Z)-3-methyl-3-heptene (7300-03-0) + hept-2-yne (1119-65-9) + 2,3-dimethyl-1-hexene (16746-86-4) + 4-methyl-2-heptyne

Guidance literature:

1,2-hexadiene; With lithium; In pentane; at 40 ℃; for 12h;

dimethyl sulfate; In pentane; Further byproducts given;

DOI:10.1016/S0022-328X(01)01195-0

upstream raw materials:

ethanol

1-(2-ethyl-hexa-1,3-dienyl)-piperidine

3-methyl-3-heptanol

sulfuric acid

Downstream raw materials:

butyraldehyde

butanone

Refernces

• 1、 Kim, Sung Min,Lee, Mi Eun,Choi, Jae-Wook,Suh, Dong Jin,Suh, Young-Woong. "Conversion of biomass-derived butanal into gasoline-range branched hydrocarbon over Pd-supported catalysts". scheme or table. p. 108 - 113. Retrieved 2012/03/10.