Grundinformationen
- CAS
1196-01-6- Standard-SMILES
CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C- InChIKey
DCSCXTJOXBUFGB-JGVFFNPUSA-N- Summenformel
- C10H14O
- Durchschnittliche Molmasse
- 150,22 g/mol
- Monoisotopische Masse
- 150,10446507
Namen und Bezeichner
- Bevorzugter Name
- Levoverbenone
- IUPAC
- (1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
- Lokaler Name
- Pin-2-en-4-on
- Englischer Name
- (-)-Verbenone
- Summenformel
- C10H14O
- Molmasse
- 150.22
Namen und Synonyme
(-)-Verbenone1196-01-6Levoverbenone(1S)-(-)-Verbenonel-VerbenonePin-2-en-4-one(S)-verbenoneLaevo-verbenoneBicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)-Verbenone, (-)-Verbenone, (1s)-DTXSID9035620
Weitere Namen anzeigen
VERBENONEBicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S)-1-VERBENONEVerbenone,(l)[S]-VERBENONE(S)-Verbanone
NSC-6831(1S)-(-)-cis-VerbenoneL(-)-VerbenoneUNII-2XP0J7754U(S)-(-)-Verbenone2XP0J7754UEINECS 214-807-2AI3-23128
Datenbank-Bezeichner
- CAS
1196-01-6、80-57-9- PubChem CID
- 92874
- DTXSID
DTXSID9035620- ChEMBL
CHEMBL2426701- ChEBI
CHEBI:78316- UNII
- 2XP0J7754U
- EC Number
- 201-292-4、214-807-2
- Nikkaji
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 248
Experimentelle und physikochemische Eigenschaften
Density0.975-0.981
Solubility
Practically insoluble to insoluble in water; soluble in non-polar solvents
Soluble (in ethanol)
Boiling Point89-90 °C (12 mm Hg)
Refractive Index1.490-1.500
Physical DescriptionColourless liquid; Minty spicy aroma
Physikochemische Eigenschaften
- Siedepunkt
- 227 · 227-228 °C (lit.)
- Dichte
- 0.975 g/mL · 0.975 g/mL at 20 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.496(lit.)
- FEMA
- 4216 · 4216 | VERBENONE
- Flammpunkt
- 185 °F · 185 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Ethanol (Slightly)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 69.8% (90 of 129) of all reports.
Warning
H302 (30.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H317 (29.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 129 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 90 of 129 reports by companies.；There are 2 notifications provided by 39 of 129 reports by companies with hazard statement code(s).；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 InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and Categories
Acute Tox. 4 (13.5%)；Skin Irrit. 2 (12.5%)；Skin Sens. 1 (12.5%)；Eye Irrit. 2 (12.5%)；Acute Tox. 4 (12.5%)
Acute Tox. 4 (30.2%)；Skin Sens. 1 (29.5%)
Regulatorische Informationen
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Chemie und Industrie
Pharmakologische Informationen
ATC Code
R - Respiratory system；R05 - Cough and cold preparations；R05C - Expectorants, excl. combinations with cough suppressants；R05CA - Expectorants；R05CA11 - Levoverbenone
QR - Respiratory system；QR05 - Cough and cold preparations；QR05C - Expectorants, excl. combinations with cough suppressants；QR05CA - Expectorants；QR05CA11 - Levoverbenone
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationBicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)-: ACTIVE
Anwendungen
Verwenden(-)-Verbenone is used to study antioxidant activity of essential oil components in lipid model systems.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
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南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
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