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1-(5,6,7,8-Tetrahydro-2-naphthyl)ethan-1-on
acetyl tetralin · 6-ACETYLTETRALIN · AKOS BBS-00006775 · 2-Acetyl-5,6,7,8-T · 1-tetralin-6-ylethanone · 6-Acetyltetrahydronaphthalene · 6-ACETYLTETRAHYDRONAPHTHALENE 97% · 5,6,7,8-TETRAHYDRO-2-ACETONAPHTHONE
Identifikatoren & physikalische Daten
| CAS No. | 774-55-0 |
|---|---|
| Summenformel | C12H14O |
| Durchschnittliche Molmasse | 174,24 g/mol |
| Monoisotopische Masse | 174,10446507 g/mol |
| SMILES | CC(=O)c1ccc2c(c1)CCCC2 |
| InChIKey | VEPUKHYQNXSSKV-UHFFFAOYSA-N |
| PubChem CID | 69885 |
| ChEMBL | CHEMBL3188542 |
| EC No. | 212-266-7 |
| DTXSID | DTXSID0047163 |
| Lokaler Name | 1-(5,6,7,8-Tetrahydro-2-naphthyl)ethan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 197 |
| Duftstoffe | Fragrance Ingredient (1-(5,6,7,8-tetrahydro-2-naphthalenyl)ethanone) -> IFRA transparency List |
| Schmelzpunkt | -21°C |
| Siedepunkt | 119-121°C 2mm |
| Dichte | 1,058 g/cm3 |
| Dampfdruck | 0.093-0.18Pa at 20-25℃ |
| Brechungsindex | 1.5610 |
| Flammpunkt | 119-121°C/2mm |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| Geruch | at 100.00 %. floral orangeflower musk grape |
| Geruchsart | floral |
| Löslichkeit | Slightly soluble in water. |
| BRN | 1241458 |
| InChI | 1S/C12H14O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-8H,2-5H2,1H3 |
| InChIKey | VEPUKHYQNXSSKV-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccc2CCCCc2c1 |
| LogP (Verteilungskoeffizient) | 3.4 at 35℃ |
| CAS Datenbank | 774-55-0(CAS DataBase Reference) |
| EPA chemische Informationen | Ethanone, 1-(5,6,7,8-tetrahydro-2-naphthalenyl)- (774-55-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 76.9% (223 of 290) of all reports.WarningH302 (14.1%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 290 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Ethanone, 1-(5,6,7,8-tetrahydro-2-naphthalenyl)-PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 25-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/24384 |
| Weitere Sicherheitsinformationen | IMAP assessments - Tonalide and related polycyclic musks: Environment tier II assessment |
| Hazard Classes and Categories | Acute Tox. 4 (14.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3082 9/PG 3 |
| R-Sätze (R) | 22-51/53 |
| Gefahrensymbole | Xn,N |
| Sicherheitshinweise (S) | 61 |
| Gefahrenklasse | 9Acute Tox. 4 Oral |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
6-Acetyl-1,2,3,4-tetrahydronaphthalene, is used asa novel methyl anthranilate yet extremely stable and resistant to discoloration. It is used in liquid detergent, concentrated fabric softner, alcoholic fine fragrances, antiperspirants. It is also used as a pharmaceutical intermediate.