(Z)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
Daten werden ergänzt – meist innerhalb einer Minute fertig
Grundinformationen
- CAS
116497-11-1- Standard-SMILES
C/C=C\C(=O)C1C(C)=CCCC1(C)C- InChIKey
CRIGTVCBMUKRSL-ALCCZGGFSA-N- Summenformel
- C13H20O
- Durchschnittliche Molmasse
- 192,3 g/mol
- Monoisotopische Masse
- 192,15141526
Namen und Bezeichner
- Bevorzugter Name
- (Z)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
- IUPAC
- (Z)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
Namen und Synonyme
(Z)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one23726-94-52-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (Z)-K75Q978U9D(2Z)-1-(2,6,6-TRIMETHYLCYCLOHEX-2-EN-1-YL)BUT-2-EN-1-ONE2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2Z)-a-damasconealpha damascone(Z)-alpha-damasconeUNII-K75Q978U9DDamascone, alphaEINECS 245-845-8
Weitere Namen anzeigen
SCHEMBL2131065(Z)-.ALPHA.-DAMASCONEDTXSID2051891(S)-(E)-(-)-alpha-damascone.ALPHA.-DAMASCONE, (Z)-cis-2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-DB-237013NS00013180
Datenbank-Bezeichner
- CAS
116497-11-1、23726-94-5- PubChem CID
- 6436548
- DTXSID
DTXSID2051891- UNII
- K75Q978U9D
- EC Number
- 245-845-8
- Nikkaji
- J242.654D
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 282
Experimentelle und physikochemische Eigenschaften
Melting Point22 - 23 °C
Physical DescriptionSolid
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H411 (18.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 275 reports by companies from 3 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 InformationChemical: 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (Z)-
Other Safety InformationIMAP assessments - Damascones: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (100%)；Skin Sens. 1B (100%)；Aquatic Chronic 2 (18.2%)
Skin sensitisation - category 1；Acute toxicity (ingestion) - category 4
Regulatorische Informationen
Regulatory InformationChemical: 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (Z)-
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular；Membrane
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Cosmetics -> Masking
General Manufacturing Information2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2Z)-: ACTIVE
Zugehörige Reaktionen
8
Notizen zur Verbindung
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