6,10,14-Trimethylpentadeca-5,9,13-trien-2-on
5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-
Grundinformationen
- CAS
762-29-8- Standard-SMILES
CC(=O)CCC=C(C)CCC=C(C)CCC=C(C)C- InChIKey
LTUMRKDLVGQMJU-UHFFFAOYSA-N- Summenformel
- C18H30O
- Durchschnittliche Molmasse
- 262,4 g/mol
- Monoisotopische Masse
- 262,22966558
Namen und Bezeichner
- Bevorzugter Name
- 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-
- IUPAC
- 6,10,14-trimethylpentadeca-5,9,13-trien-2-one
- Lokaler Name
- 6,10,14-Trimethylpentadeca-5,9,13-trien-2-on
- Englischer Name
- Farnesylacetone
- Summenformel
- C18H30O
- Molmasse
- 262.43
Namen und Synonyme
6,10,14-Trimethylpentadeca-5,9,13-trien-2-one5,9,13-PENTADECATRIEN-2-ONE, 6,10,14-TRIMETHYL-DTXSID5061087RefChem:528361DTXCID2047856762-29-86,10,14-Trimethyl-5,9,13-pentadecatrien-2-one(E,E)-Farnesyl acetoneSCHEMBL157419AKOS025244014MSK164289-100BNS00080196
Weitere Namen anzeigen
Famesyl acetoneFema no. 3442FarnesylacetoneFarnesalacetoneEinecs 212-097-9Farnesylacetonemixture of isomersFARNESYLACETONE MIXTURE OF STEREO6,10,-Trimethylpentadeca-5,9,-trien-2-onFARNESYLACETONE, MIXTURE OF ISOMERS, 97%
Farnesalacetone Solution in Acetone, 100ug/mLF980279
Datenbank-Bezeichner
- CAS
762-29-8
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,6
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 352
Experimentelle und physikochemische Eigenschaften
Density0.885-0.895
Solubility
soluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point147-148 °C
Refractive Index1.478-1.483
Physical DescriptionColourless or pale straw-coloured oily liquid; intensely sweet, floral odour
Physikochemische Eigenschaften
- Schmelzpunkt
- 80.5 · 80.5-81.5 °C
- Siedepunkt
- 120 · 120-121 °C(Press: 0.45 Torr)
- Dichte
- 0.88 g/mL · 0.88 g/mL at 20 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.481
- FEMA
- 3442 · 3442 | 2,6,10-TRIMETHYL-2,6,10-PENTADECATRIEN-14-ONE
- Flammpunkt
- 110 °C · 110°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
This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 89 of 90 companies (only 1.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 89 of 90 reports by companies.；There is 1 notification provided by 1 of 90 reports by companies with hazard statement code(s).；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: 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Regulatorische Informationen
Regulatory Information
Chemical: 5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
General Manufacturing Information5,9,13-Pentadecatrien-2-one, 6,10,14-trimethyl-: ACTIVE
Anwendungen
OccurrenceReported found in tomato, grapefruit juice, melon, cardamom, rice, buckwheat, lemon balm and sweet grass oil.
VerwendenFarnesalacetone is an intermediate in the synthesis of intermediates in the biosynthesis of carotenoids.
Darstellung
synthetischeBy treating farnesyl bromide with sodium acetate, followed by treating with methanolic KOH.
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