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7-Acetyl-6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalin
Versalide · VersalideR · ACETYLETHYLTETRAMETHYLTETRALIN · Versalide (Givaudan-Delawanna) · AETT · MUSK-36A · Nsc15342 · ACETYLATEDTETRAMETHYLTETRALIN
Identifikatoren & physikalische Daten
| CAS No. | 88-29-9 |
|---|---|
| Summenformel | C18H26O |
| Durchschnittliche Molmasse | 258,4 g/mol |
| Monoisotopische Masse | 258,19836545 g/mol |
| SMILES | CCc1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C |
| InChIKey | KSEZPRJUTHMFGZ-UHFFFAOYSA-N |
| PubChem CID | 6930 |
| EC No. | 201-817-7 |
| DTXSID | DTXSID3041582 |
| Lokaler Name | 7-Acetyl-6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalin |
Chemische & physikalische Eigenschaften
| XLogP | 5,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 353 |
| Duftstoffe | Fragrance substance (Acetyl ethyl tetramethyl tetralin (AETT)) -> IFRA amendment 40 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 46.5° |
| Siedepunkt | bp2 130° |
| Dichte | 0.9947 (rough estimate) |
| Brechungsindex | 1.4500 (estimate) |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)12ug/L(temperature not stated) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Geruch | at 10.00 % in dipropylene glycol. sweet intense musk ambrette macrocyclic |
| Geruchsart | musk |
| LogP (Verteilungskoeffizient) | 5.037 (est) |
| EPA chemische Informationen | Acetylethyltetramethyltetralin (88-29-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.H301: Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| Regulatorische Informationen | Chemical: Ethanone, 1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-Ethanone, 1-(3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Tonalide and related polycyclic musks: Environment tier II assessment |
| Hazard Classes and Categories | Acute Tox. 3 (100%)Acute toxicity (ingestion) - category 3 |
| TSCA-Inventar-Status | TSCA listed |
| Toxizität | Primarily of historic interest, AETT was originally used in fragrance preparations but was withdrawn from commercial use due to a number of behavioral and morphological neurotoxic effects. |
Anwendungen & Verwendung
Verwenden
Versalide is used as musk for perfumes, cosmetics, soaps.
Herstellung & Synthese
synthetische
Versalide is prepared from Ethylbenzene plus 2,5-Dichloro -2,5-dimethylhexane. (Carpenter, U.S. pat. 2,897,237, 28th July 1959).