bis[(1S,5S)-3,3,5-trimethylcyclohexyl] benzene-1,2-dicarboxylate

Base Information

• Chemical Name: bis[(1S,5S)-3,3,5-trimethylcyclohexyl] benzene-1,2-dicarboxylate
• CAS No.: 245652-81-7
• Molecular Formula: C₂₆H₃₈O₄
• Molecular Weight: 414.585
• DSSTox Substance ID: DTXSID901334425
• Nikkaji Number: J260.473F
• Mol file: 245652-81-7.mol

Synonyms:Bis(cis-3,3,5-trimethylcyclohexyl) Phthalate;245652-81-7;bis[(1S,5S)-3,3,5-trimethylcyclohexyl] benzene-1,2-dicarboxylate;P0946;SCHEMBL3846508;DTXSID901334425;AKOS025294983;A877874;bis[(1S,5S)-3,3,5-trimethylcyclohexyl] phthalate;Phthalic Acid Bis(cis-3,3,5-trimethylcyclohexyl) Ester;Phthalic acid bis[(1alpha)-3,3,5alpha-trimethylcyclohexyl] ester;1-TERT-BUTYL-4,4,4-TRIS(DIMETHYLAMINO)-2,2-BIS[TRIS(DIMETHYLAMINO)-PHOSPHORANYLIDE-NAMINO]-2LAMBDA5,4LAMBDA5-CATENADI(PHOSPHAZENE)

Chemical Property of bis[(1S,5S)-3,3,5-trimethylcyclohexyl] benzene-1,2-dicarboxylate

Chemical Property:

• Vapor Pressure: 7.13E-09mmHg at 25°C
• Melting Point: 93 °C
• Refractive Index: 1.525
• Boiling Point: 466.4°C at 760 mmHg
• Flash Point: 219.7°C
• PSA: 52.60000
• Density: 1.06g/cm³
• LogP: 6.42980
• Water Solubility.: 0.12mg/L(24 oC)
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 414.27700969
• Heavy Atom Count: 30
• Complexity: 569

Purity/Quality:

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

Bis(cis-3,3,5-trimethylcyclohexyl) Phthalate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2C(=O)OC3CC(CC(C3)(C)C)C
• Isomeric SMILES: C[C@@H]1C[C@@H](CC(C1)(C)C)OC(=O)C2=CC=CC=C2C(=O)O[C@H]3C[C@H](CC(C3)(C)C)C

Technology Process of bis[(1S,5S)-3,3,5-trimethylcyclohexyl] benzene-1,2-dicarboxylate

There total 1 articles about bis[(1S,5S)-3,3,5-trimethylcyclohexyl] benzene-1,2-dicarboxylate 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:

→ plasticizer-water + bis(cis-3,3,5-trimethylcyclohexyl) phthalate (388077-84-7,245652-82-8,245652-81-7)

Guidance literature:

Refernces