2,6,8-Trimethylnonan-4-on
2,6,8-Trimethyl-4-nonanone
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Grundinformationen
- CAS
123-18-2- Standard-SMILES
CC(C)CC(=O)CC(C)CC(C)C- InChIKey
GFWVDQCGGDBTBS-UHFFFAOYSA-N- Summenformel
- C12H24O
- Durchschnittliche Molmasse
- 184,32 g/mol
- Monoisotopische Masse
- 184,18271539
Namen und Bezeichner
- Bevorzugter Name
- 2,6,8-Trimethyl-4-nonanone
- IUPAC
- 2,6,8-trimethylnonan-4-one
- Lokaler Name
- 2,6,8-Trimethylnonan-4-on
- Englischer Name
- 2,6,8-Trimethyl-4-nonanone
- Summenformel
- C12H24O
- Molmasse
- 184.32
Namen und Synonyme
2,6,8-Trimethyl-4-nonanone123-18-24-NONANONE, 2,6,8-TRIMETHYL-DTXSID7026998EINECS 204-607-3NSC 66186UNII-Q95W9K98Y8Q95W9K98Y8NSC-661862,4,8-TRIMETHYLNONAN-6-ONEDTXCID306998RefChem:83061
Weitere Namen anzeigen
2,6,8-trimethylnonan-ISO-BUTYL HEPTYL KETONE2,6,8-TRIMETHYL-4-NONONE2,6,8-trimethyl-4-nonanon4-nonanone,2,6,8-trimethyl-
204-607-3GFWVDQCGGDBTBS-UHFFFAOYSA-N2,6,8-Trimethylnonan-4-oneMFCD00048361CAS-123-18-2NSC661862,8-Trimethyl-4-nonanone4-Nonanone,6,8-trimethyl-
Datenbank-Bezeichner
- CAS
123-18-2- PubChem CID
- 61057
- DTXSID
DTXSID7026998- ChEMBL
CHEMBL3187270- UNII
- Q95W9K98Y8
- EC Number
- 204-607-3
- Nikkaji
- J219.549F
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 147
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (2,6,8-Trimethylnonan-4-one) -> IFRA transparency List
Physical DescriptionCBI
Physikochemische Eigenschaften
- Schmelzpunkt
- -75.15 °C · -75.15°C
- Siedepunkt
- 219 ℃ · 219℃
- Dichte
- 0.819 · 0.819
- Brechungsindex
- 1.4233 · 1.4233
- Flammpunkt
- 63 ℃ · 63℃
- Wasserlöslichkeit
- Soluble in alcohol and insoluble in water.
- Kosmetik-Inhaltsstoffe Funktionen
- PERFUMING
- LogP
- 4.076 · 4.076 (est)
- EPA chemische Informationen
- 4 · 4-Nonanone, 2,6,8-trimethyl- (123-18-2)
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 48.5% (83 of 171) of reports.
H411 (38.6%): 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 171 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 4-Nonanone, 2,6,8-trimethyl-
4-Nonanone, 2,6,8-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Nonanone, 2,6,8-trimethyl- 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)
Other Safety InformationIMAP assessments - 4-Nonanone, 2,6,8-trimethyl-: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 2 (38.6%)
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
Use ClassificationFragrance Ingredients
General Manufacturing Information
Paint and Coating Manufacturing
4-Nonanone, 2,6,8-trimethyl-: ACTIVE
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