Grundinformationen
- Standard-SMILES
CC1=CCC2(C(C)C)CC12- InChIKey
KQAZVFVOEIRWHN-UHFFFAOYSA-N- Summenformel
- C10H16
- Durchschnittliche Molmasse
- 136,23 g/mol
- Monoisotopische Masse
- 136,12520051
Überblick
Alpha-thujene is a thujene that has a bicyclo[3.1.0]hex-2-ene skeleton which is substituted at positions 2 and 5 by methyl and isopropyl groups, respectively.
Namen und Bezeichner
- Bevorzugter Name
- alpha-Thujene
- IUPAC
- 2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene
Namen und Synonyme
ALPHA-THUJENE2867-05-2OriganeneBicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-eneCHEBI:50031DTXSID208630382-methyl-5-propan-2-ylbicyclo(3.1.0)hex-2-eneBicyclo(3.1.0)hex-2-ene, 2-methyl-5-(1-methylethyl)-RefChem:915574DTXCID70811721ALPHA-THUJENE, (A+-)-
Weitere Namen anzeigen
220-686-7U9HIP11C7C3-Thujene2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hex-2-ene5-Isopropyl-2-methylbicyclo[3.1.0]hex-2-enethujiene2-methyl-5-(1-methylethyl)-bicyclo[3.1.0]hex-2-ene.alpha.-Thujene
Datenbank-Bezeichner
- CAS
2867-05-2、3917-48-4- PubChem CID
- 17868
- DTXSID
DTXSID20863038- ChEBI
CHEBI:50031- EC Number
- 220-686-7
- Nikkaji
- J101.189H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 188
Experimentelle und physikochemische Eigenschaften
Boiling Point150.00 to 152.00 °C. @ 760.00 mm Hg
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P321, P330, P331, P333+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 22 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-
Status: Active Update: 07-12-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18599
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
General Manufacturing InformationBicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-: INACTIVE
Zugehörige Reaktionen
2
Verknüpfte Notizen
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