Pseudoionone
Grundinformationen
- CAS
141-10-6- Standard-SMILES
CC(=O)/C=C/C=C(\C)CCC=C(C)C- InChIKey
JXJIQCXXJGRKRJ-KOOBJXAQSA-N- Summenformel
- C13H20O
- Durchschnittliche Molmasse
- 192,3 g/mol
- Monoisotopische Masse
- 192,15141526
Überblick
Pseudoionone is a terpene ketone derived from ring cleavage of the apo carotenoid beta-ionone. It has a role as a fragrance. It is functionally related to a beta-ionone.
Namen und Bezeichner
- Bevorzugter Name
- Pseudoionone
- IUPAC
- (3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one
- Englischer Name
- Pseudoionone
- Summenformel
- C13H20O
- Molmasse
- 192.3
Namen und Synonyme
Pseudoionone141-10-6Citrylideneacetone6,10-Dimethyl-3,5,9-undecatrien-2-onePseudoiononespsi-Ionone3,5,9-Undecatrien-2-one, 6,10-dimethyl-6,10-Dimethylundeca-3,5,9-trien-2-one2,6-Dimethylundeca-2,6,8-triene-10-one.psi.-Ionone6,10-Dimethyl-3,5,9-undecatriene-2-onepseudo-ionone
Weitere Namen anzeigen
trans-ψ-Iononetrans,trans-Pseudoionone(3E,5E)-6,10-Dimethylundeca-3,5,9-triene-2-one3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (E,E)-3,5,9-Undecatrien-2-one, 6,10-dimethyl-, (3E,5E)-
EINECS 205-457-1AI3-22131H1KUL01Y8OCHEBI:67207EC 205-457-1DTXSID7029168PHI-IONONE2-PSEUDOIONONE
Datenbank-Bezeichner
- CAS
141-10-6、3548-78-5- PubChem CID
- 1757003
- DTXSID
DTXSID00891713- ChEMBL
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 263
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance substance (Pseudoionone) -> IFRA amendment 40
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.894-0.903
Flavoring AgentsEU Flavoring substances
Solubility
Practically insoluble to insoluble
Soluble (in ethanol)
Boiling Point143-145 º
Melting Point< 25 °C
Refractive Index1.529-1.535
Physical Description
Solid
Pale yellow liquid; Warm floral aroma
Physikochemische Eigenschaften
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 384 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315: Causes skin irritation [Warning Skin corrosion/irritation]
Gefahrenhinweise
Regulatory Information
Chemical: 3,5,9-Undecatrien-2-one, 6,10-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 6,10-dimethylundeca-3,5,9-trien-2-one (EC: 205-457-1)
3,5,9-Undecatrien-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 Irrit. 2 (100%)
Skin corrosion/irritation - Category 2
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
IFRA Fragrance Standards
Pseudoionone
Citrylideneacetone; 2,6-Dimethylundeca-2,6,8-trien-10-one; 6,10-Dimethyl-3,5,9-undecatrien-2-one; 3,5,9-Undecatrien-2-one, 6,10-dimethyl-
IFRA_STD_176.pdf
40
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Prohibition: This material should not be used as a fragrance ingredient_Specification: This material should be used only if it meets the criteria stated in the Standard
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information3,5,9-Undecatrien-2-one, 6,10-dimethyl-: ACTIVE
Anbieter1 Anbieter
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