Versalide

Base Information

• Chemical Name: Versalide
• CAS No.: 88-29-9
• Deprecated CAS: 1401-76-9
• Molecular Formula: C18H26 O
• Molecular Weight: 258.404
• Hs Code.: 2914399090
• European Community (EC) Number: 201-817-7
• NSC Number: 15342
• UNII: BM2DT9GHFQ
• DSSTox Substance ID: DTXSID3041582
• Nikkaji Number: J4.291I
• Wikidata: Q21099104
• Mol file: 88-29-9.mol

Synonyms:1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethanone;6-acetyl-1,1,4,4-tetramethyl-7-ethyl-1,2,3,4-tetralin;acetyl ethyl tetramethyl tetralin;acetyl ethyltetramethyltetralin;acetylethyltetramethyltetralin;AETT;versalide

Chemical Property of Versalide

Chemical Property:

• Vapor Pressure: 2.01E-05mmHg at 25°C
• Melting Point: 46.5°
• Refractive Index: 1.4500 (estimate)
• Boiling Point: 361.9°C at 760 mmHg
• Flash Point: 152.6°C
• PSA: 17.07000
• Density: 0.931g/cm³
• LogP: 4.80060
• Water Solubility.: 12ug/L(temperature not stated)
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 258.198365449
• Heavy Atom Count: 19
• Complexity: 353

Purity/Quality:

99%, ^*data from raw suppliers

1-(3-Ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC2=C(C=C1C(=O)C)C(CCC2(C)C)(C)C
• Uses: As musk for perfumes, cosmetics, soaps.

Technology Process of Versalide

There total 6 articles about Versalide 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: 89.0%

1,1,4,4-tetramethyl-6-ethyl-1,2,3,4-tetrahydronaphthalene (80-81-9) + acetyl chloride (75-36-5) → 1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-ethanone (88-29-9)

Guidance literature:

aluminium trichloride; In 2,2,4-trimethylpentane;

Reference yield:

2,5-dichloro-2,5-dimethyl hexane (6223-78-5) → 1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-ethanone (88-29-9)

Guidance literature:

Multi-step reaction with 2 steps

1: FeCl₃

2: AlCl₃; 1,2-dichloro-ethane

With aluminium trichloride; iron(III) chloride; 1,2-dichloro-ethane;

Reference yield:

ethylbenzene (100-41-4,27536-89-6) → 1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-ethanone (88-29-9)

Guidance literature:

Multi-step reaction with 2 steps

1: FeCl₃

2: AlCl₃

With aluminium trichloride; iron(III) chloride;

DOI:10.1021/jo01044a022

upstream raw materials:

1,1,4,4-tetramethyl-6-ethyl-1,2,3,4-tetrahydronaphthalene

acetyl chloride

2,5-dichloro-2,5-dimethyl hexane

ethylbenzene

Refernces

• 1、 -. "Process for the production of compounds useful in perfumery". . . Retrieved 2008/06/13.