2,6,6-Trimethylcyclohex-2-ene-1-carboxylic acid

Base Information

• Chemical Name: 2,6,6-Trimethylcyclohex-2-ene-1-carboxylic acid
• CAS No.: 564-24-9
• Molecular Formula: C10H16 O2
• Molecular Weight: 168.236
• European Community (EC) Number: 209-270-6
• UNII: HGT5FN6P2U
• DSSTox Substance ID: DTXSID80971840
• Nikkaji Number: J188.427A
• Mol file: 564-24-9.mol

Synonyms:2,6,6-Trimethylcyclohex-2-ene-1-carboxylic acid;564-24-9;EINECS 209-270-6;2,6,6-Trimethylcyclohex-2-enecarboxylic acid;2,6,6-trimethyl-2-cyclohexene-1-carboxylic acid;Cyclogeranic acid;HGT5FN6P2U;ALPHA-CYCLOGERANIC ACID;SCHEMBL9342143;DTXSID80971840;2,6,6-trimethyl-cyclohex-2-ene-1-carboxylic acid;2-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-

Chemical Property of 2,6,6-Trimethylcyclohex-2-ene-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 0.00452mmHg at 25°C
• Boiling Point: 257.1°C at 760 mmHg
• Flash Point: 123.4°C
• PSA: 37.30000
• Density: 0.999g/cm³
• LogP: 2.45350
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 168.115029749
• Heavy Atom Count: 12
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCCC(C1C(=O)O)(C)C

Technology Process of 2,6,6-Trimethylcyclohex-2-ene-1-carboxylic acid

There total 20 articles about 2,6,6-Trimethylcyclohex-2-ene-1-carboxylic 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: 95.4%

(E)-geranic acid (4698-08-2) → (+/-)-α-cyclogeranic acid (564-24-9) + 2,6,6-trimethyl-cyclohex-1-enecarboxylic acid (471-90-9)

Guidance literature:

With sulfuric acid; In nitromethane; at -40 ℃; for 1h;

Reference yield: 90.0%

(E)-geranic acid (4698-08-2) → (+/-)-α-cyclogeranic acid (564-24-9)

Guidance literature:

With phosphoric acid; In toluene; at 100 ℃; for 2h;

DOI:10.1016/S0957-4166(00)00007-0

Reference yield: 89.4%

geranic acid (459-80-3) → (+/-)-α-cyclogeranic acid (564-24-9)

Guidance literature:

With phosphoric acid; In toluene; at 100 ℃; for 2h;

upstream raw materials:

geranic acid

(±)-3-hydroxy-3,7-dimethyloct-6-enoic acid

2,3-dibromo-2,6,6-trimethyl-cycloheptanone

ethyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate

Downstream raw materials:

ethyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate

4,4-dimethyl-6-oxo-heptanoic acid

α-cyclocitral

2,6,6-trimethylcyclohex-1-enecarbaldehyde

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