alpha-Bulnesene
Grundinformationen
- CAS
3691-11-0- Standard-SMILES
C=C(C)[C@@H]1CCC(C)=C2CC[C@H](C)[C@@H]2C1- InChIKey
YHAJBLWYOIUHHM-GUTXKFCHSA-N- Summenformel
- C15H24
- Durchschnittliche Molmasse
- 204,35 g/mol
- Monoisotopische Masse
- 204,18780077
Überblick
Delta-guaiene is a carbobicyclic compound and sesquiterpene that is 1,2,3,3a,4,5,6,7-octahydroazulene which is substituted by methyl groups at positions 3 and 8 and by a (prop-1-en-2-yl group at position 5 (the 3S,3aS,5R enantiomer). It has a role as a platelet aggregation inhibitor and a plant metabolite. It is a sesquiterpene and a carbobicyclic compound.
Namen und Bezeichner
- Bevorzugter Name
- alpha-Bulnesene
- IUPAC
- (3S,3aS,5R)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene
- Englischer Name
- alpha-Bulnesene
- Summenformel
- C15H24
- Molmasse
- 204.35
Namen und Synonyme
delta-Guaienealpha-Bulnesene3691-11-02U8L6FYE8U(3S,3aS,5R)-3,8-dimethyl-5-(prop-1-en-2-yl)-1,2,3,3a,4,5,6,7-octahydroazulene(3S,3aS,5R)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazuleneCHEBI:63447DTXSID30190387RefChem:131678DTXCID40112878885-851-3Guaia-1(10),11-diene
Weitere Namen anzeigen
δ-Guaienedelta-Guaijeneα-Bulnesene, >90%Alpha-Bulnesene (>90%)Salbutamol Impurity 1315-Isopropenyl-3,8-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulene
(+)-alpha-bulnesenea-Bulnesene (>90%).delta.-Guaiene.alpha.-BulneseneAzulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethenyl)-, [1S-(1alpha,7alpha,8abeta)]-alfa-Bulnesene.DELTA.-BULNESENEUNII-2U8L6FYE8U
Datenbank-Bezeichner
- CAS
3691-11-0- PubChem CID
- 94275
- DTXSID
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,6
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 295
Physikochemische Eigenschaften
- Siedepunkt
- 274.5 · 274.5±20.0 °C(Predicted)
- Dichte
- 0.89 · 0.89±0.1 g/cm3(Predicted)
- Brechungsindex
- 20 · n20/D 1.505
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), Dichloromethane (Sparingly), Ethyl Acetate (Slightly)
- Aggregatzustand
- Oil
- Farbe
- Colourless
- Stabilität
- Light Sensitive
- LogP
- 6.628 · 6.628 (est)
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
Danger
H304 (100%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P264, P264+P265, P280, P301+P316, P302+P352, P305+P351+P338, P321, P331, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 13 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAsp. Tox. 1 (100%)
Sicherheitsdaten
- Alarmwort
- Achtung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H304
Chemie und Industrie
Anwendungen
Verwendenα-Bulnesene is a component of patchouli essential oil which is widely used in perfumery, cosmetics and in pharmaceutical industries.
Anbieter9 Anbieter
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Ergänzende Hinweise
DefinitionChEBI: A carbobicyclic compound and sesquiterpene that is 1,2,3,3a,4,5,6,7-octahydroazulene which is substituted by methyl groups at positions 3 and 8 and by a (prop-1-en-2-yl group at position 5 (the 3S,3aS,5R e antiomer).
Zugehörige Reaktionen
2
Notizen zur Verbindung
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