(2alpha,4aalpha,8beta)-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one

Base Information

• Chemical Name: (2alpha,4aalpha,8beta)-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one
• CAS No.: 29461-13-0
• Deprecated CAS: 26839-48-5
• Molecular Formula: C₁₅H₂₄O
• Molecular Weight: 220.355
• European Community (EC) Number: 249-648-8
• DSSTox Substance ID: DTXSID301131475
• Nikkaji Number: J257.455A
• Mol file: 29461-13-0.mol

Synonyms:29461-13-0;(2alpha,4aalpha,8beta)-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one;(3S,6S,9R)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-10-one;EINECS 249-648-8;SCHEMBL13713736;DTXSID301131475;rel-(2R,4aR,8aS)-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one;2H-2,4a-Methanonaphthalen-8(5H)-one, hexahydro-1,1,5,5-tetramethyl-, (2alpha,4aalpha,8beta)-

Chemical Property of (2alpha,4aalpha,8beta)-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one

Chemical Property:

• Appearance/Colour: Clear liquid
• Vapor Pressure: 0.345Pa at 25℃
• Boiling Point: 286.8 °C at 760 mmHg
• Flash Point: 119.7 °C
• PSA: 17.07000
• Density: 1 g/cm³
• LogP: 3.81800
• Water Solubility.: 100mg/L at 25℃
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 220.182715385
• Heavy Atom Count: 16
• Complexity: 352

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC(=O)C2C13CCC(C3)C2(C)C)C
• Isomeric SMILES: CC1(CCC(=O)[C@H]2[C@@]13CC[C@@H](C3)C2(C)C)C

Technology Process of (2alpha,4aalpha,8beta)-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one

There total 5 articles about (2alpha,4aalpha,8beta)-Hexahydro-1,1,5,5-tetramethyl-2H-2,4a-methanonaphthalen-8(5H)-one 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:

→ 2,2,7,7-Tetramethyltricyclo<6.2.1.03.8>-undecan-4-on (23787-90-8,26839-48-5,26839-51-0,26839-72-5,29461-13-0,29461-14-1,41746-29-6,41746-30-9,57456-74-3,122743-47-9)

Guidance literature:

Keton IV (<α>(D): +9.2 grad), Filtration ueber akt. Al2O3;

DOI:10.1016/S0040-4020(01)97855-X

Reference yield:

→ (R)-1,1,5,5-Tetramethyl-hexahydro-2,4a-methano-naphthalen-8-one (23787-90-8,26839-48-5,26839-51-0,26839-72-5,29461-13-0,29461-14-1,41746-29-6,41746-30-9,57456-74-3,122743-47-9)

Guidance literature:

Verb. 1, BF3-katalys. Umlagerung;

DOI:10.1016/S0040-4039(01)98518-1

Reference yield:

→ Isolongifolenketon (23787-90-8,26839-48-5,26839-51-0,26839-72-5,29461-13-0,29461-14-1,41746-29-6,41746-30-9,57456-74-3,122743-47-9)

Guidance literature:

entspr. Epoxid;

DOI:10.1016/S0040-4039(01)95681-3

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