3-Methyl-1,4-pentadiene

Base Information

• Chemical Name: 3-Methyl-1,4-pentadiene
• CAS No.: 1115-08-8
• Molecular Formula: C6H10
• Molecular Weight: 82.1454
• Hs Code.: 2901299090
• European Community (EC) Number: 214-221-7
• UNII: AO4JZ46543
• DSSTox Substance ID: DTXSID6061496
• Nikkaji Number: J133.075F
• Wikidata: Q81989501
• Mol file: 1115-08-8.mol

Synonyms:3-Methyl-1,4-pentadiene;1115-08-8;1,4-Pentadiene, 3-methyl-;3-Methylpenta-1,4-diene;EINECS 214-221-7;AO4JZ46543;UNII-AO4JZ46543;CH2=CHCH(CH3)CH=CH2;DTXSID6061496;AKOS025294093;PENTA-1,4-DIENE, 3-METHYL-;3-Methyl-1,4-pentadiene, >=98.5%;J-002593

Chemical Property of 3-Methyl-1,4-pentadiene

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 5.11 psi ( 20 °C)
• Melting Point: -94.9°C (estimate)
• Refractive Index: n20/D 1.397(lit.)
• Boiling Point: 54.6°Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 0.695g/cm³
• LogP: 1.99450
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 82.078250319
• Heavy Atom Count: 6
• Complexity: 45.1

Purity/Quality:

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

3-Methyl-1,4-pentadiene ≥98.5% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,Xi
• Statements: 11-38
• Safety Statements: 16-33-36-62

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C=C)C=C

Technology Process of 3-Methyl-1,4-pentadiene

There total 8 articles about 3-Methyl-1,4-pentadiene 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:

ethene (74-85-1) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 3-methyl-1,4-pentadiene (1115-08-8)

Guidance literature:

[bis(tributylphosphine)nickeldichloride]; diisobutylaluminum chloride; In 1,1,2,2-tetrachloroethylene; under 5481.8 Torr;

DOI:10.1021/ja00991a013

Reference yield:

(Z)-2-Butene (590-18-1) + acetylene (74-86-2,25067-58-7) → 3-methyl-1,4-pentadiene (1115-08-8)

Guidance literature:

at 350 ℃; under 129287 Torr;

DOI:10.1021/jo01013a012

Reference yield:

trans-2-Butene (624-64-6) + acetylene (74-86-2,25067-58-7) → 3-methyl-1,4-pentadiene (1115-08-8)

Guidance literature:

at 350 ℃; under 129287 Torr;

DOI:10.1021/jo01013a012

upstream raw materials:

dimethyl-(3-methyl-pent-4-enyl)-amine

ethene

buta-1,3-diene

(Z)-2-Butene

Downstream raw materials:

(3E)-3-methylpenta-1,3-diene

1-[2-((E)-4-Methyl-hexa-3,5-dienyl)-[1,3]dithian-2-yl]-3-phenyl-cyclohex-2-enol

(2E,6E)-3,7-dimethyl-1-(2,6,6-trimethyl-1-cyclohexenyl)-2,6,8-nonatriene-4-ol

4,4'-dimethyldiphenylmethane