Ionone
Grundinformationen
- CAS
31798-12-6- Standard-SMILES
CC(=O)C=CC1C(C)=CCCC1(C)C- InChIKey
UZFLPKAIBPNNCA-UHFFFAOYSA-N- Summenformel
- C13H20O
- Durchschnittliche Molmasse
- 192,3 g/mol
- Monoisotopische Masse
- 192,15141526
Überblick
See also: Alpha-Ionone (annotation moved to).
Namen und Bezeichner
- Bevorzugter Name
- Ionone
- IUPAC
- 4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Namen und Synonyme
DTXSID7044477IrisoneQP734LIN1KRefChem:1087416CHEBI:49248DTXCID30809689232-396-8939-953-08013-90-9Ionone.alpha.-Ionone31798-12-6
Weitere Namen anzeigen
SCHEMBL112671UZFLPKAIBPNNCA-UHFFFAOYSA-N(E)-(+-)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-oneNS000792894-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-one
Datenbank-Bezeichner
- CAS
31798-12-6、6901-97-9、8013-90-9- PubChem CID
- 24680
- DTXSID
DTXSID7044477- EC Number
- 232-396-8、250-812-6、939-953-0
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 282
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (Ionone (mixed isomers)) -> IFRA transparency List
Physical DescriptionLiquid
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
H411 (> 99.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1647 reports by companies from 6 notifications to the ECHA C&L Inventory.
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Ionone
Ionone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ionone 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)
Ionone: 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
Aquatic Chronic 2 (> 99.9%)
Aquatic Chronic 2 (100%)
Skin irritation - category 2
Self-reactive substances and mixtures - Type G
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 22,360 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 39 consumer products that contain Ionone in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
Ionone: ACTIVE
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