1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone

Base Information

• Chemical Name: 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone
• CAS No.: 54464-57-2
• Deprecated CAS: 166090-45-5,239809-44-0,1616297-46-1,239809-44-0
• Molecular Formula: C16H26O
• Molecular Weight: 234.382
• Hs Code.: 2914299000
• European Community (EC) Number: 259-174-3
• UNII: 1GD7ODM28Y
• DSSTox Substance ID: DTXSID7031290
• Nikkaji Number: J266.894G
• Wikipedia: Iso_E_Super
• Wikidata: Q15720552
• RXCUI: 2359257
• ChEMBL ID: CHEMBL1423553
• Mol file: 54464-57-2.mol

Synonyms:(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethylnaphthalen-2yl)ethan-1-one;1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)ethanone;OHTMNE cpd

Chemical Property of 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone

Chemical Property:

• Appearance/Colour: Clear yellow liquid
• Vapor Pressure: 0.000538mmHg at 25°C
• Refractive Index: 1.493
• Boiling Point: 312.2 °C at 760 mmHg
• Flash Point: 127.7 °C
• PSA: 17.07000
• Density: 0.95 g/cm³
• LogP: 4.51830
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 234.198365449
• Heavy Atom Count: 17
• Complexity: 375

Purity/Quality:

99.9% ^*data from raw suppliers

IsoESuper(>80%) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2=C(CC1(C)C(=O)C)C(CCC2)(C)C
• Uses: 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone is used as scent in perfumes, laundry products and cosmetics Synthetic woody odorant. Used as scent in perfumes, laundry products and cosmetics.

Technology Process of 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone

There total 3 articles about 1-(2,3,8,8-Tetramethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)ethanone 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: 92.2%

3-methylpent-3-en-2-one (565-62-8) + 7-methyl-3-methene-1,6-octadiene (123-35-3) → 1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)-ethan-1-one (54464-57-2)

Guidance literature:

at 170 - 250 ℃; Temperature;

Reference yield:

1-[1,6-dimethyl-4-(4-methylpent-3-enyl)-3-cyclohexen-1-yl]ethan-1-one (57499-57-7) → 1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)-ethan-1-one (54464-57-2) + (1,2,3,4,6,7,8,8a-octahydro-2,3,8,8-tetramethyl-2-naphthyl) ethanone (68155-67-9) + (1,2,3,4,6,7,8,8a-octahydro-1,2,8,8-tetramethyl-2-naphthyl) ethanone

Guidance literature:

With hydrogenchloride; phosphoric acid; sulfuric acid; In methanol; at 60 - 80 ℃; for 8.66667h; Temperature; Reagent/catalyst; Solvent; Overall yield = 97.1 %; Overall yield = 437 g;

Reference yield:

→ 1-(1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)-ethan-1-one (54464-57-2)

Guidance literature:

Oxim (Isomerengemisch), H2SO4/H2O/C2H5OH;

upstream raw materials:

1-[1,6-dimethyl-4-(4-methylpent-3-enyl)-3-cyclohexen-1-yl]ethan-1-one

3-methylpent-3-en-2-one

7-methyl-3-methene-1,6-octadiene

Downstream raw materials:

2-naphthalenemethanol, 1,2,3,4,5,6,7,8-octahydro-alpha,2,3,8,8-pentamethyl-

Refernces

• 1、 -. "Method for preparing ambrotone". Paragraph 0080; 0083; 0086; 0089; 0090; 0093; 0094. . Retrieved 2017/09/12.
• 2、 -. "Precursors for fragrant ketones and fragrant aldehydes". . . Retrieved 2008/06/13.