1-(2,6,6-Trimethylcyclohex-3-en-1-yl)but-2-en-1-one

HCID 42296CAS 57378-68-4

Grundinformationen

Standard-SMILES
CC=CC(=O)C1C(C)C=CCC1(C)C
InChIKey
XEJGJTYRUWUFFD-UHFFFAOYSA-N
Summenformel
C13H20O
Durchschnittliche Molmasse
192,3 g/mol
Monoisotopische Masse
192,15141526

Namen und Bezeichner

Bevorzugter Name
1-(2,6,6-Trimethylcyclohex-3-en-1-yl)but-2-en-1-one
IUPAC
1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one

Namen und Synonyme

71048-82-31-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-oned-damasconeUNII-7F4RIE5P7ESCHEMBL237110HCA37868DB-300387NS00075869G782061-(2,6,6-trimethylcyclohex-3-enyl)but-2-en-1-one1-(2,6,6-trimethyl-cyclohex-3-enyl)-but-2-en-1-one

Datenbank-Bezeichner

CAS
57378-68-4、71048-82-3
PubChem CID
42296
DTXSID
DTXSID2052235
EC Number
275-156-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,4
Polarare Oberfläche (TPSA)
17,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
2
Schwere Atome
14

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (65.7%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (65.7%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin];H400 (45.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (99.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 178 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 01-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16254
Hazard Classes and CategoriesAcute Tox. 4 (65.7%);Skin Irrit. 2 (65.7%);Skin Sens. 1A (100%);Aquatic Acute 1 (45.5%);Aquatic Chronic 1 (99.4%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 01-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/16254

Chemie und Industrie

Verwendung und Herstellung

Household ProductsInformation on 33 consumer products that contain Trans-Rose Ketone-3 in the following categories is provided:;• Auto Products;• Inside the Home
Use ClassificationFragrance Ingredients

Zugehörige Reaktionen

9

Verknüpfte Notizen

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