1,5,5,6-Tetramethyl-1,3-cyclohexadiene

Base Information

• Chemical Name: 1,5,5,6-Tetramethyl-1,3-cyclohexadiene
• CAS No.: 514-94-3
• Molecular Formula: C10H16
• Molecular Weight: 136.237
• DSSTox Substance ID: DTXSID90965715
• Nikkaji Number: J39.857H
• Wikidata: Q82948018
• Mol file: 514-94-3.mol

Synonyms:.alpha.-Pyronene;alpha-Pyronene;514-94-3;1,5,5,6-TETRAMETHYL-1,3-CYCLOHEXADIENE;1,3-Cyclohexadiene, 1,5,5,6-tetramethyl-;1,5,5,6-tetramethylcyclohexa-1,3-diene;DTXSID90965715;LKNRSUKTEIJIAS-UHFFFAOYSA-N;AKOS006275463;1,5,5,6-Tetramethyl-1,3-cyclohexadiene #

Chemical Property of 1,5,5,6-Tetramethyl-1,3-cyclohexadiene

Chemical Property:

• Vapor Pressure: 3.16mmHg at 25°C
• Boiling Point: 160°Cat760mmHg
• Flash Point: 37.7°C
• PSA: 0.00000
• Density: 0.804g/cm³
• LogP: 3.16480
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 136.125200510
• Heavy Atom Count: 10
• Complexity: 182

Purity/Quality:

98%min ^*data from raw suppliers

1,5,5,6-TETRAMETHYLCYCLOHEXA-1,3-DIENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(=CC=CC1(C)C)C

Technology Process of 1,5,5,6-Tetramethyl-1,3-cyclohexadiene

There total 10 articles about 1,5,5,6-Tetramethyl-1,3-cyclohexadiene 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:

(+)-α-pinene (7785-70-8,25766-18-1) → (E,E)-2,6-dimethyl-2,4,6-octatriene (3016-19-1,6874-48-2) + β-pyronene (514-96-5) + α-pyronene (514-94-3) + D-limonene (5989-27-5,555-08-8,8022-90-0,9003-73-0,95327-98-3) + 4E,6Z-alloocimene (7216-56-0,6874-48-2)

Guidance literature:

In ethanol; at 387.84 ℃; for 0.0194444h; under 91206.1 Torr; Supercritical conditions;

DOI:10.1134/S0023158410020035

Reference yield:

Pinene (80-56-8,177698-18-9,25766-18-1) → 1,3,5,5-tetramethyl-1,3-cyclohexadiene (4724-89-4) + (Z)-ocimene (3338-55-4,1856-63-9) + α-pyronene (514-94-3) + limonene. (138-86-3,555-08-8,8022-90-0,9003-73-0,95327-98-3)

Guidance literature:

In chloroform; at 400 ℃; Further Variations:; Temperatures; Product distribution;

DOI:10.1002/ejoc.200601098

Reference yield:

(+)-α-pinene (7785-70-8,25766-18-1) → 2,6-dimethyl-2,4,6-octatriene (673-84-7,6874-48-2) + α-pyronene (514-94-3) + limonene. (138-86-3,555-08-8,8022-90-0,9003-73-0,95327-98-3) + 4E,6Z-alloocimene (7216-56-0,6874-48-2)

Guidance literature:

In ethanol; at 300 ℃; for 0.0833333h; under 76005.1 Torr; Further Variations:; Solvents; Pressures; Temperatures; Product distribution;

DOI:10.1007/s11172-006-0367-z

upstream raw materials:

Pinene

(-)-α-pinene

(+)-α-pinene

D-limonene

Downstream raw materials:

2-methyl-but-2-ene

dimethyl 3-methylbenzene-1,2-dicarboxylate

4,5,5-trimethyl-3-methylene-1-cyclohexene

ethane