Cashmeran

Base Information

• Chemical Name: Cashmeran
• CAS No.: 33704-61-9
• Deprecated CAS: 155667-06-4,178603-97-9
• Molecular Formula: C14H22O
• Molecular Weight: 206.328
• Hs Code.: 2914190090
• European Community (EC) Number: 251-649-3
• UNII: BZR4438MY4
• DSSTox Substance ID: DTXSID8047399
• Nikkaji Number: J308.527I
• Wikipedia: Cashmeran
• Wikidata: Q1047397
• ChEMBL ID: CHEMBL3183584
• Mol file: 33704-61-9.mol

Synonyms:6,7-dihydro-1,1,2,3,3-pentamethyl-4-(5H)indanone;cashmeran

Chemical Property of Cashmeran

Chemical Property:

• Vapor Pressure: 0.00269mmHg at 25°C
• Refractive Index: 1.495
• Boiling Point: 286.116 °C at 760 mmHg
• Flash Point: 126.979 °C
• PSA: 17.07000
• Density: 0.966 g/cm³
• LogP: 3.73810
• Water Solubility.: 49.1mg/L at 20℃
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 206.167065321
• Heavy Atom Count: 15
• Complexity: 344

Purity/Quality:

99.9% ^*data from raw suppliers

Cashmeran ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C
• Uses: A synthetic musk fragrance compound (polycyclic musk) used in personal care products, and can be found in the environment and the human body. An impurity of Donepezil.

Technology Process of Cashmeran

There total 4 articles about Cashmeran 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:

2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-1H-indene (33704-59-5) → cashmeran (33704-61-9)

Guidance literature:

2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-1H-indene; With oxygen; cobalt-naphthenate catalyst (ALDRICH, 6 wt percent Co); In mineral spirits; water; at 125 ℃; for 17h;

With oxygen; Au-CeO₂ catalyst; In mineral spirits; water; at 125 ℃; for 24h; Product distribution / selectivity;

Reference yield:

2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-1H-indene (33704-59-5) → 1,1,2,3,3-pentamethyl-4-hydroxy-4,5,6,7-tetrahydroindane (33711-43-2) + cashmeran (33704-61-9)

Guidance literature:

With oxygen; cobalt-naphthenate catalyst (ALDRICH, 6 wt percent Co); In mineral spirits; water; at 125 ℃; for 17h; Product distribution / selectivity;

Reference yield:

7,7,8,9,9-pentamethyllbicyclo[4.3.0]nonan-2-one (195379-87-4) → cashmeran (33704-61-9)

Guidance literature:

With Pd(DMSO)2(trifluoroacetate)2; oxygen; acetic acid; at 100 ℃; under 760.051 Torr;

upstream raw materials:

2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-1H-indene

7,7,8,9,9-pentamethyllbicyclo[4.3.0]nonan-2-one

Downstream raw materials:

7,7,8,9,9-pentamethyllbicyclo[4.3.0]nonan-2-one

Refernces

• 1、 -. "Allylic Oxidation Method for the Preparation of Fragrances Using Metal-Organic Compounds and Gold Catalysts". Page/Page column 4-5. . Retrieved 2011/04/18.
• 2、 -. "Precursors for fragrant ketones and fragrant aldehydes". . . Retrieved 2008/06/13.