Decatone

Base Information

• Chemical Name: Decatone
• CAS No.: 34131-98-1
• Molecular Formula: C13H22 O
• Molecular Weight: 194.317
• Hs Code.: 2914299000
• European Community (EC) Number: 251-840-1
• DSSTox Substance ID: DTXSID10865703
• Nikkaji Number: J287.865H
• Metabolomics Workbench ID: 47156
• Mol file: 34131-98-1.mol

Synonyms:Decatone;34131-98-1;6-Isopropyl-2-decalone;6-Isopropyldecalone;6-isopropyloctahydronaphthalen-2(1h)-one;6-Isopropyl-2(1H)-octahydronaphthalenone;6-Isopropyl-3,4,4a,5,6,7,8,8a-octahydro-2(1H)-naphthalenone;2(1H)-Naphthalenone, octahydro-6-(1-methylethyl)-;EINECS 251-840-1;6-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one;3,4,4a,5,6,7,8,8a-Octahydro-6-isopropylnaphthalene-2(1H)-one;Octahydro-6-isopropyl-2(1H)-naphthalenone;6-(propan-2-yl)-decahydronaphthalen-2-one;Octahydro-6-(1-methylethyl)-2(1H)-Naphthalenone;UNII-2F97U2I94O;SCHEMBL1171505;DTXSID10865703;2F97U2I94O;AKOS006277038;LS-95104;Octahydro-6-(1-methylethyl)-2(1H)-naphthalenone, 9CI;3,4,4a,5,6,7,8,8a-Octahydro-6-isopropyl-2(1H)-naphthalenone;3,4,4a,5,6,7,8,8a - octahydro - 6 - isopropylnaphthalene - 2(1H) - one

Chemical Property of Decatone

Chemical Property:

• Vapor Pressure: 0.0054mmHg at 25°C
• Boiling Point: 274.4°Cat760mmHg
• Flash Point: 112.3°C
• PSA: 17.07000
• Density: 0.938g/cm³
• LogP: 3.42790
• Storage Temp.: Refrigerator
• Solubility.: Chloroform
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 194.167065321
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

Decatone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1CCC2CC(=O)CCC2C1
• Uses: Decatone is used in the synthesis of 6-Isopropyl-2-decahydronaphthalenol,which is a fragrance raw material, used in the perfumery industry.

Technology Process of Decatone

There total 4 articles about Decatone 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: 91.0%

4,4a,5,6,7,8-hexahydro-6-isopropyl-2(3H)-naphthalenone (34131-96-9) → 6-α-isopropyl-trans-2-decalone (34131-98-1,115305-83-4,115305-93-6)

Guidance literature:

With ammonia; lithium;

DOI:10.1021/jo00251a030

Reference yield:

→ 6-isopropyloctahydronaphthalen-2(1H)-one (34131-98-1)

Guidance literature:

Reference yield:

4,4a,5,6,7,8-hexahydro-6-isopropyl-2(3H)-naphthalenone (34131-96-9) → 6α-isopropyl-cis-2-decalone (34131-98-1,115305-83-4,115305-93-6) + 6-α-isopropyl-trans-2-decalone (34131-98-1,115305-83-4,115305-93-6)

Guidance literature:

With chromium(VI) oxide; hydrogenchloride; sulfuric acid; hydrogen; palladium on activated charcoal; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; 1.) aq. C₂H₅OH, 30 psi, 8 h;

DOI:10.1021/jo00251a030

upstream raw materials:

4,4a,5,6,7,8-hexahydro-6-isopropyl-2(3H)-naphthalenone

Refernces