Grundinformationen
- CAS
1322-58-3- Standard-SMILES
CC(=O)CCCC(C)CCC=C(C)C- InChIKey
LGVYUZVANMHKHV-UHFFFAOYSA-N- Summenformel
- C13H24O
- Durchschnittliche Molmasse
- 196,33 g/mol
- Monoisotopische Masse
- 196,18271539
Namen und Bezeichner
- Bevorzugter Name
- Tetrahydro-pseudo-ionone
- IUPAC
- 6,10-dimethylundec-9-en-2-one
- Lokaler Name
- 6,10-Dimethylundec-9-en-2-on
- Englischer Name
- 3,4,5,6-Tetrahydropseudoionone
- Summenformel
- C13H24O
- Molmasse
- 196.33
Namen und Synonyme
6,10-Dimethylundec-9-en-2-oneCitronellylacetone3,4,5,6-TetrahydropseudoiononeTetrahydro-pseudo-ionone6,10-Dimethyl-9-undecen-2-one9-Undecen-2-one, 6,10-dimethyl-4433-36-7FEMA No. 3059BRN 1765213EINECS 224-634-46,10-Dimethylundecen-2-oneTETRAMERAN
Weitere Namen anzeigen
FEMA 30596,10-dimethyl-9-undecen-2-on6,10-Dimethylundec-9-en-2-on3,4,5,6-TETRAHYDROPSEDOIONONE
3DAE8640XJDTXSID701100094-01-00-03529 (Beilstein Handbook Reference)TETRAHYDRO-PSEUDO-IONONE [FHFI]RefChem:897159DTXCID1065263DTXSID50280077(+-)-TETRAHYDRO-PSEUDO-IONONE
Datenbank-Bezeichner
- CAS
1322-58-3、4433-36-7- PubChem CID
- 102604
- DTXSID
DTXSID70110009- ChEBI
CHEBI:185517- UNII
- 3DAE8640XJ
- EC Number
- 215-340-7、224-634-4
- Nikkaji
- J40.458F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,1
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 187
Experimentelle und physikochemische Eigenschaften
Density0.865-0.875
Solubility
insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point
234.00 °C. @ 760.00 mm Hg
234 °C
Refractive Index1.449-1.455
Physical DescriptionPale straw yellow or colourless oily liquid; sweet floral balsamic odour with a rose to woody quality
Kovats Retention Index1329；1424
Physikochemische Eigenschaften
- Siedepunkt
- 130 · 130-132 °C(Press: 11 Torr)
- Dichte
- 0.838 · 0.838±0.06 g/cm3(Predicted)
- Dampfdruck
- 0.6 Pa · 0.6Pa at 20℃
- FEMA
- 3059 · 3059 | 3,4,5,6-TETRAHYDROPSEUDOIONONE
- Löslichkeit
- Practically insoluble in water, soluble in alcohol and oils.
- Aggregatzustand
- oily liquid
- Wichte
- 0.87 · 0.87
- Farbe
- Pale straw-colored or almost colorless
- Geruch (Odor)
- 100 % · at 100.00 %. sweet floral balsam rose woody
- Geruchsart
- floral
- JECFA Number
- 1121 · 1121
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- LogP
- 4.6 at · 4.6 at 35℃
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 0.4% (1 of 250) of reports.
Warning
H317 (99.2%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 250 reports by companies from 4 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 1 of 250 reports by companies.；There are 3 notifications provided by 249 of 250 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: 9-Undecen-2-one, 6,10-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 02-02-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16901
9-Undecen-2-one, 6,10-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Sens. 1B (100%)
Skin Sens. 1B (99.2%)
Regulatorische Informationen
Regulatory Information
Chemical: 9-Undecen-2-one, 6,10-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 02-02-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/16901
9-Undecen-2-one, 6,10-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H317
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular；Membrane
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Anwendungen
Verwenden6,10-Dimethylundec-9-en-2-one finds some use in Rose compositions, where its peculiar oily softness lends very pleasant and natural notes, and also supPorts mildly green notes in the composition. It blends furthermore excellently with Vetiver and Labdanum, musks and Lavender products, and it can justly be classified as a very versatile perfume chemical. It is used in small amounts in berry flavors, fruit complexes, etc. at the rate of 1 to 15 ppm in the functional consumer products.
Darstellung
synthetischeBy hydrogenation of pseudo-ionone with colloidal palladium; this reaction leads to a product with considerable mixture; also from linalool plus acetic anhydride and sodium ethoxide, followed by hydrogenation; another method starts with geraniol via the acid chloride.
Anbieter6 Anbieter
湖北冠众通科技有限公司0716-7227299 13507251920
武汉匠信生物科技有限公司19272768272 18007157445 · [email protected]
BOC Sciences[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
湖北美索伦科技有限公司13419562052 13419562052 · [email protected]
Golden Pharma Co., Limited+86-18958062155 · [email protected]
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