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Grundinformationen
- CAS
18794-84-8- Standard-SMILES
C=CC(=C)CC/C=C(\C)CCC=C(C)C- InChIKey
JSNRRGGBADWTMC-NTCAYCPXSA-N- Summenformel
- C15H24
- Durchschnittliche Molmasse
- 204,35 g/mol
- Monoisotopische Masse
- 204,18780077
Namen und Bezeichner
- Bevorzugter Name
- beta-Farnesene
- IUPAC
- (6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
- Lokaler Name
- (E)-7,11-Dimethyl-3-methylendodeca-1,6,10-trien
- Englischer Name
- (E)-BETA-FARNESENE
- Summenformel
- C15H24
- Molmasse
- 204.35
Namen und Synonyme
18794-84-8trans-beta-FarneseneBETA-FARNESENE(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-trienee-beta-farnesene(6E)-7,11-Dimethyl-3-methylene-1,6,10-dodecatrieneDTXSID9047049E5STW643HUDTXCID7027049CHEBI:10418CHEBI:39241RefChem:567827
Weitere Namen anzeigen
β-Farnesene(E)-β-Farnesene(E)-β-Farnesenetrans-β-Farnesene1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (E)-b-Farnesene(E)-beta-famesene7,11-Dimethyl-3-methylene-1,6,10-dodecatriene
(6Z)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene(E)-beta-farnesene(E)-|A-Farnesene(E)-7,11-Dimethyl-3-methylenedodeca-1,6,10-trienetrans-B-farnesenebeta-trans-farnesene7,11-Dimethyl-3-methylenedodeca-1,6,10-triene1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (6E)-
Datenbank-Bezeichner
- CAS
18794-84-8、77129-48-7
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 6,2
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 260
Experimentelle und physikochemische Eigenschaften
Physical DescriptionLiquid
Kovats Retention Index
1448；1448；1452；1450；1449；1453；1448；1447；1446；1447；1459；1446；1446；1445；1450；1449；1443；1450；1438；1456
1468.5；1459；1458；1459；1457；1457；1461；1454；1457；1467；1456；1455；1458；1450；1453；1457；1458；1451；1457；1460
1663；1664；1672；1665；1665；1662；1666；1661；1667；1666；1668；1664；1674；1661；1661；1660；1657；1649；1664；1668
1479
1455
Physikochemische Eigenschaften
- Schmelzpunkt
- 25 ℃ · <25℃
- Siedepunkt
- 272.5 · 272.5±20.0℃ (760 Torr)
- Dichte
- 0.807 · 0.807±0.06 g/cm3 (20 ºC 760 Torr)
- Dampfdruck
- 34 Pa · 34Pa at 25℃
- Brechungsindex
- 1.487 · 1.487 (589.3 nm 18℃)
- FEMA
- 3839 · 3839 | ALPHA-FARNESENE
- Flammpunkt
- 110 °C · 110 °C
- storage temp.
- 20 °C · −20°C
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 (97.7%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]；H315 (26.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (24.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264, P272, P280, P301+P316, P302+P352, P321, P331, P332+P317, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1662 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 Information
Chemical: 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (E)-
1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (6E)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (6E)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 15-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/10936
Hazard Classes and CategoriesAsp. Tox. 1 (97.7%)；Skin Irrit. 2 (26.4%)；Skin Sens. 1 (24.1%)
Regulatorische Informationen
Regulatory Information
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 6,485,697 lb；2022: 5,000,000 - <10,000,000 lb；2021: 1,000,000 - <5,000,000 lb；2020: 5,000,000 - <10,000,000 lb
Consumer UsesIntermediate；Monomers
Industry UsesMonomers；Intermediate
Use ClassificationFragrance Ingredients
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing；Synthetic Rubber Manufacturing
1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (6E)-: ACTIVE
Anwendungen
Verwendentrans-β-Farnesene is a sesquiterpene natural product made my different plants to repel pest aphid species.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
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