3,7-Dimethylocta-3,6-dienoic acid

Base Information

• Chemical Name: 3,7-Dimethylocta-3,6-dienoic acid
• CAS No.: 85391-92-0
• Molecular Formula: C10H16 O2
• Molecular Weight: 168.236
• Hs Code.: 2916190090
• European Community (EC) Number: 286-848-4
• Nikkaji Number: J310.389G,J1.667.400A
• Mol file: 85391-92-0.mol

Synonyms:3,7-Dimethylocta-3,6-dienoic acid;EINECS 286-848-4;85391-92-0;SCHEMBL10707476;SCHEMBL12282334;(E)-3,7-Dimethyl-3,6-octadienoic acid

Chemical Property of 3,7-Dimethylocta-3,6-dienoic acid

Chemical Property:

• Vapor Pressure: 0.000812mmHg at 25°C
• Boiling Point: 283.7°C at 760 mmHg
• Flash Point: 180.8°C
• PSA: 37.30000
• Density: 0.96g/cm³
• LogP: 2.76370
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 168.115029749
• Heavy Atom Count: 12
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,7-Dimethylocta-3,6-dienoic acid

There total 4 articles about 3,7-Dimethylocta-3,6-dienoic acid 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:

verbenone (80-57-9) → 3,7-dimethyl-octa-3,6-dienoic acid (85391-92-0)

Guidance literature:

With water; In diethyl ether; Irradiation;

DOI:10.1039/jr9600002864

Reference yield:

sodium diethylmalonate (996-82-7,34727-00-9,73177-21-6) + 6-Methyl-hept-5-en-2-on (110-93-0,129085-68-3) → 3,7-dimethyl-octa-3,6-dienoic acid (85391-92-0)

Guidance literature:

With phosphorus pentachloride; Es gibt 2.6-Dimethyl-7-methylsaeure-octadien-(2.5)-saeure-⁽⁸⁾-diaethylester; aus der durch Verseifen dieses Esters dargestellten Saeure spaltet man durch Destillation CO₂ ab;

Reference yield:

ethyl acetoacetate (141-97-9) → 3,7-dimethyl-octa-3,6-dienoic acid (85391-92-0)

Guidance literature:

man verseift die entstehende Verbindung;

upstream raw materials:

sodium diethylmalonate

6-Methyl-hept-5-en-2-on

verbenone

ethyl acetoacetate

Downstream raw materials:

p-mentha-4⁽⁸⁾,6-dien-3-one

p-mentha-6,8-dien-3-one