2,6-Dimethyl-2,4,6-octatriene

Base Information

• Chemical Name: 2,6-Dimethyl-2,4,6-octatriene
• CAS No.: 673-84-7
• Deprecated CAS: 17627-38-2,17627-39-3,23487-64-1
• Molecular Formula: C10H16
• Molecular Weight: 136.237
• Hs Code.: 2901299090
• European Community (EC) Number: 221-153-1,211-614-5
• NSC Number: 406263
• UNII: 6TF53L340E
• DSSTox Substance ID: DTXSID00883936
• Nikkaji Number: J150.067H,J292.837J,J292.838H,J366.975K,J366.976I,J87.946K,J205.317I
• Wikidata: Q15628365
• Metabolomics Workbench ID: 4743
• ChEMBL ID: CHEMBL2268552
• Mol file: 673-84-7.mol

Synonyms:allo-ocimene;alloocimene;alloocimene, (E,E)-isomer;alloocimene, (E,Z)-isomer;alloocimene, (Z,Z)-isomer

Chemical Property of 2,6-Dimethyl-2,4,6-octatriene

Chemical Property:

• Appearance/Colour: Clear colourless to slightly yellowish liquid.
• Vapor Pressure: 0.816mmHg at 25°C
• Melting Point: -25.5°C
• Refractive Index: n20/D 1.542(lit.)
• Boiling Point: 73-75 °C14 mm Hg(lit.)
• Flash Point: 51.8 °C
• PSA: 0.00000
• Density: 0.811 g/mL at 25 °C(lit.)
• LogP: 3.47500
• Storage Temp.: 2-8°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 136.125200510
• Heavy Atom Count: 10
• Complexity: 165

Purity/Quality:

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

Alloocimene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aliphatics, Unsaturated
• Canonical SMILES: CC=C(C)C=CC=C(C)C
• Isomeric SMILES: C/C=C(\C)/C=C/C=C(C)C
• Uses: Component of varnishes and a variety of polymers; fragrance.

Technology Process of 2,6-Dimethyl-2,4,6-octatriene

There total 7 articles about 2,6-Dimethyl-2,4,6-octatriene 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:

(Z)-ocimene (3338-55-4,1856-63-9) → cis-alloocimene (673-84-7,3016-19-1,7216-56-0,17202-19-6,79026-52-1,79026-53-2,135500-75-3,17202-20-9,6874-48-2)

Guidance literature:

With 2,6-di-tert-butyl-4-methyl-phenol; limonene.; at 125.5 ℃; Temperature; Concentration; Reagent/catalyst; Kinetics;

DOI:10.1002/poc.1925

Reference yield:

4E,6Z-alloocimene (7216-56-0,6874-48-2) → (E,E)-2,6-dimethyl-2,4,6-octatriene (3016-19-1,6874-48-2) + cis-alloocimene (673-84-7,3016-19-1,7216-56-0,17202-19-6,79026-52-1,79026-53-2,135500-75-3,17202-20-9,6874-48-2) + 2,6-dimethyloctatriene-2,cis-4,cis-6 (17202-19-6,6874-48-2)

Guidance literature:

In hexane; Product distribution; Quantum yield; Thermodynamic data; Irradiation; photosensitized by benzophenone;

DOI:10.1021/j150614a028

Reference yield:

(E,E)-2,6-dimethyl-2,4,6-octatriene (3016-19-1,6874-48-2) → cis-alloocimene (673-84-7,3016-19-1,7216-56-0,17202-19-6,79026-52-1,79026-53-2,135500-75-3,17202-20-9,6874-48-2) + 2,6-dimethyloctatriene-2,cis-4,cis-6 (17202-19-6,6874-48-2) + 4E,6Z-alloocimene (7216-56-0,6874-48-2)

Guidance literature:

In hexane; Product distribution; Quantum yield; Thermodynamic data; Irradiation; photosensitized by benzophenone;

DOI:10.1021/j150614a028

upstream raw materials:

(-)-α-pinene

(+)-α-pinene

4E,6Z-alloocimene

(E,E)-2,6-dimethyl-2,4,6-octatriene

Downstream raw materials:

3,4-dimethyl-6-(2-methyl-propenyl)-cyclohex-4-ene-1,2-dicarboxylic acid

4,5-dimethyl-2-(2-methyl-propenyl)-cyclohex-3-enecarbaldehyde

2,6-dimethyloctane

1,2,3-trimethylbenzene