beta-Irone
Grundinformationen
- CAS
72074-84-1- Standard-SMILES
CC(=O)/C=C/C1=C(C)CCC(C)C1(C)C- InChIKey
BGKCUGPVLVNPSG-CMDGGOBGSA-N- Summenformel
- C14H22O
- Durchschnittliche Molmasse
- 206,32 g/mol
- Monoisotopische Masse
- 206,16706532
Überblick
β-irone has been reported in Iris sibirica with data available.
Namen und Bezeichner
- Bevorzugter Name
- beta-Irone
- IUPAC
- (E)-4-(2,5,6,6-tetramethylcyclohexen-1-yl)but-3-en-2-one
Namen und Synonyme
beta-Irone6-Methyl-beta-ionone6-Methyl-.beta.-ionone.beta.-Ironebeta-Irone [MI]W8NW93JQ9Hbeta-Ionone, 6-methyl-UNII-W8NW93JQ9H3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-.beta.-Ionone, 6-methyl-79-70-92-Methyl-.beta.-ionone
Weitere Namen anzeigen
EINECS 201-220-1.BETA.-IRONE [MI]4-(2,5,6,6-Tetramethyl-1-cyclohexenyl)but-3-en-2-oneDTXSID7086164072074-84-14-(2,5,6,6-Tetramehtyl-1-cyclohexenyl)-3-buten-2-one3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-, (3E)-(E)-4-(2,5,6,6-tetramethylcyclohexen-1-yl)but-3-en-2-one
Datenbank-Bezeichner
- CAS
72074-84-1、79-70-9- PubChem CID
- 5375215
- DTXSID
DTXSID70861640- UNII
- W8NW93JQ9H
- EC Number
- 201-220-1
- Nikkaji
- J1.653.769A、J4.240D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 318
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (.beta.-Irone) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 62.1% (36 of 58) of all reports.
Warning
H317 (37.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Gefahrenhinweise
Regulatory Information
Chemical: 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Ionones: Human health tier II assessment
Hazard Classes and Categories
Skin Sens. 1 (37.9%)
Skin irritation - category 2
Chemie und Industrie
Verwendung und Herstellung
Use ClassificationFragrance Ingredients
General Manufacturing Information3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-: ACTIVE
Zugehörige Reaktionen
1
Notizen zur Verbindung
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