Grundinformationen
- CAS
502-61-4- Standard-SMILES
C=C/C(C)=C/C/C=C(\C)CCC=C(C)C- InChIKey
CXENHBSYCFFKJS-VDQVFBMKSA-N- Summenformel
- C15H24
- Durchschnittliche Molmasse
- 204,35 g/mol
- Monoisotopische Masse
- 204,18780077
Überblick
Alpha-farnesene is a farnesene that is 1,3,6,10-tetraene substituted by methyl groups at positions 3, 7 and 11 respectively.
Namen und Bezeichner
- Bevorzugter Name
- Farnesene
- IUPAC
- (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
- Lokaler Name
- 2,6,10-Trimethyldodeca-2,6,9,11-tetraen
- Englischer Name
- FARNESENE
- Summenformel
- C15H24
- Molmasse
- 204.35
Namen und Synonyme
alpha-FarneseneFarnesene502-61-4(E,E)-alpha-farneseneDTXSID4047202trans,trans-alpha-farnesene1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (3E,6E)-MAGNOLENE7E1785CZ0HDTXCID2027202FEMA NO. 3839CHEBI:10280
Weitere Namen anzeigen
α-Farnesene(E,E)-α-farneseneFEMA 3839(3E,6E)-3,7,11-Trimethyl-1,3,6,10-dodecatetraeneTRANS-B-FARNESENE(3E,6E)-α-Farnesene(3E,6E)- alpha-Farnesene
CHEBI:39236FARNESENE (ALPHA AND BETA)FEMA NO. 3839, (3E,6E)-alpha-RefChem:272544P3OFI15E1CHEBI:39237207-948-6a-farnesene
Datenbank-Bezeichner
- CAS
502-61-4- PubChem CID
- 5281516
- DTXSID
DTXSID4047202- ChEMBL
CHEMBL3182226- ChEBI
CHEBI:39236
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,1
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 270
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (alpha-Farnesene) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Boiling Point260.00 to 262.00 °C. @ 760.00 mm Hg
Physikochemische Eigenschaften
- Schmelzpunkt
- 25 °C · <25 °C
- Siedepunkt
- 260 °C · 260 °C(lit.)
- Dichte
- 0.844 · 0.844-0.8790 g/mL at 25 °C(lit.)
- FEMA
- 3839 · 3839 | ALPHA-FARNESENE
- Brechungsindex
- 20 · n20/D 1.490-1.505(lit.)
- Flammpunkt
- 110 °C · 110 °C
- storage temp.
- -20 °C, · -20°C, Light sensitive
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 2.5% (40 of 1603) of reports.
Danger
H304 (97.5%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P301+P316, P331, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1603 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (E,E)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (3E,6E)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAsp. Tox. 1 (97.5%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1,3,6,10-Dodecatetraene, 3,7,11-trimethyl-, (3E,6E)-: ACTIVE
Anwendungen
OccurrenceReported found in natural oils including angelica root oil (2,100 ppm), corn mint oil (
Verwendenα-Farnesene acts as an alarm pheromone in termites; also acts as a food attractants for the apple tree pest, the codling moth. α-Farnesene is also the chief compound contributing to the scent of gardenia, making up ~65% of the headspace constituents.
Darstellung
synthetischeIsolation from natural coating of apples and oil of perilla.
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