1-(5,6,7,8-Tetrahydro-2-naphthyl)ethan-1-on

6-Acetyltetralin

HCID 69885CAS 774-55-0

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC(=O)c1ccc2c(c1)CCCC2
InChIKey: VEPUKHYQNXSSKV-UHFFFAOYSA-N
Summenformel: C12H14O
Durchschnittliche Molmasse: 174,24 g/mol
Monoisotopische Masse: 174,10446507

Namen und Bezeichner

Bevorzugter Name: 6-Acetyltetralin
IUPAC: 1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
Lokaler Name: 1-(5,6,7,8-Tetrahydro-2-naphthyl)ethan-1-on
Englischer Name: 6-Acetyltetrahydronaphthalene
Summenformel: C12H14O
Molmasse: 174.24

Namen und Synonyme

774-55-01-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone6-Acetyltetralin6-ACETYL-1,2,3,4-TETRAHYDRONAPHTHALENE6-Acetyl tetralinEthanone, 1-(5,6,7,8-tetrahydro-2-naphthalenyl)-DTXSID0047163UNII-6L3DBR6DE66L3DBR6DE6FLORANTON2-acetyl-5,6,7,8-tetrahydronaphthaleneNSC 5179

Weitere Namen anzeigen

acetyl tetralinAKOS BBS-000067752-Acetyl-5,6,7,8-T1-tetralin-6-ylethanone6-Acetyltetrahydronaphthalene6-ACETYLTETRAHYDRONAPHTHALENE 97%5,6,7,8-TETRAHYDRO-2-ACETONAPHTHONEAcetyl-1,2,3,4-tetrahydronaphthalene

NSC-5179EINECS 212-266-71-(5,6,7,8-Tetrahydro-2-naphthyl)ethan-1-oneAI3-10031DTXCID80271635',6',7',8'-Tetrahydro-2'-acetonaphthone5,6,7,8-TETRAHYDRONAPHTH-2-YL METHYL KETONE2'-ACETONAPHTHONE, 5',6',7',8'-TETRAHYDRO-

Datenbank-Bezeichner

CAS: 774-55-0
PubChem CID: 69885
DTXSID: DTXSID0047163
ChEMBL: CHEMBL3188542
UNII: 6L3DBR6DE6
EC Number: 212-266-7
Nikkaji: J193.160A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 197

Experimentelle und physikochemische Eigenschaften

FragrancesFragrance Ingredient (1-(5,6,7,8-tetrahydro-2-naphthalenyl)ethanone) -> IFRA transparency List

Physikochemische Eigenschaften

Schmelzpunkt: -21 °C · -21°C
Siedepunkt: 119 · 119-121°C 2mm
Dichte: 1 · 1,058 g/cm3
Dampfdruck: 0.093 · 0.093-0.18Pa at 20-25℃
Brechungsindex: 1.561 · 1.5610
Flammpunkt: 119 · 119-121°C/2mm
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
Geruch (Odor): 100 % · at 100.00 %. floral orangeflower musk grape
Geruchsart: floral
Wasserlöslichkeit: Slightly soluble in water.
BRN: 1241458 · 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: 3.4 at · 3.4 at 35℃
CAS Datenbank: 774 · 774-55-0(CAS DataBase Reference)
EPA chemische Informationen: 1 · Ethanone, 1-(5,6,7,8-tetrahydro-2-naphthalenyl)- (774-55-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 76.9% (223 of 290) of all reports.

Warning

H302 (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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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

Other Safety InformationIMAP assessments - Tonalide and related polycyclic musks: Environment tier II assessment

Hazard Classes and CategoriesAcute Tox. 4 (14.1%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3082 9/PG 3
risk_code: 22-51/53
hazard_code: Xn,N
safety_code: 61
hazard_class: 9
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationFragrance Ingredients

General Manufacturing InformationEthanone, 1-(5,6,7,8-tetrahydro-2-naphthalenyl)-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden6-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.