[3R-(3α,3aβ,7β,8aα)]-Octahydro-3,8,8-trimethyl-6-methylen-1H-3a,7-methanoazulen
(+)-beta-Cedrene
Grundinformationen
- CAS
546-28-1- Standard-SMILES
C=C1CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C- InChIKey
DYLPEFGBWGEFBB-OSFYFWSMSA-N- Summenformel
- C15H24
- Durchschnittliche Molmasse
- 204,35 g/mol
- Monoisotopische Masse
- 204,18780077
Überblick
(+)-beta-cedrene is a cedrane sesquiterpenoid.
Namen und Bezeichner
- Bevorzugter Name
- (+)-beta-Cedrene
- IUPAC
- (1S,2R,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecane
- Lokaler Name
- [3R-(3α,3aβ,7β,8aα)]-Octahydro-3,8,8-trimethyl-6-methylen-1H-3a,7-methanoazulen
- Englischer Name
- (+)-beta-Cedrene
- Summenformel
- C15H24
- Molmasse
- 204.35
Namen und Synonyme
beta-Cedrene(+)-beta-Cedrene546-28-16QL7ERD5Q1(1S,2R,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo[5.3.1.01,5]undecaneDTXSID40883435(3R-(3alpha,3Abeta,7beta,8aalpha))-octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene(1S,2R,5S,7S)-2,6,6-trimethyl-8-methylidenetricyclo(5.3.1.01,5)undecaneRefChem:119231DTXCID801022966(1S,2R,5S,7R)-2,6,6-trimethyl-8-methylidenetricyclo(5.3.1.01,5)undecane208-898-8
Weitere Namen anzeigen
B-CEDRENECEDRENE, B-B Bismuthene8(15)-Cedrene(+)-β-CedreneCEDRENE, B-(SG)Einecs 208-898-8B-CEDRENE WITH GC
Cedr-8(15)-ene.beta.-Cedrene(+)-.beta.-Cedrene(+)-beta-Funebrene1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R,3aS,7S,8aS)-(+)-?-CEDRENE(3R,3aS,7S,8aS)-3,8,8-Trimethyl-6-methyleneoctahydro-1H-3a,7-methanoazulene1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, [3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,9
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 312
Physikochemische Eigenschaften
- Siedepunkt
- 263 · 263-264 °C(lit.)
- Dichte
- 0.932 g/mL · 0.932 g/mL at 20 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.502
- Flammpunkt
- 113 ℃ · 113℃
- storage temp.
- 2 · 2-8°C
- Aggregatzustand
- liquid
- BRN
- 2244722 · 2244722
- InChI
- 1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h11-13H,1,5-9H2,2-4H3/t11-,12+,13+,15+/m1/s1
- InChIKey
- DYLPEFGBWGEFBB-OSFYFWSMSA-N
- SMILES
- [H][C@]1(C2=C)C(C)(C)[C@@](CC[C@H]3C)([H])[C@]3(CC2)C1
- LogP
- 6.226 · 6.226 (est)
- EPA chemische Informationen
- 1 H-3a,7-Methanoazulene, · 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R,3aS,7S,8aS)- (546-28-1)
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 46.4% (109 of 235) of reports.
Danger
H304 (31.5%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P273, P301+P316, P331, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 235 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, [3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-
[3R-(3.alpha.,3a.beta.,7.beta.,8a.alpha.)]-Octahydro-3,8,8-trimethyl-6-methylene-1H-3a,7-methanoazulene: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesAsp. Tox. 1 (31.5%)
Sicherheitsdaten
- F
- 10-23
- wgk
- 3
- tsca
- TSCA listed
- safety_code
- 23-24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Verwendung und Herstellung
Household ProductsInformation on 3 consumer products that contain 1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-,(3R,3aS,7S,8aS)- in the following categories is provided:
General Manufacturing Information1H-3a,7-Methanoazulene, octahydro-3,8,8-trimethyl-6-methylene-, (3R,3aS,7S,8aS)-: ACTIVE
Anwendungen
Verwenden(+)-β-Cedrene has been observed in a Edgeworthia tomentosa (Thunb.) Nakai flower essential oil extract, which has shown to display anitmicrobial properties.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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