Grundinformationen
- Standard-SMILES
CCCCCCCC(C)=O- InChIKey
VKCYHJWLYTUGCC-UHFFFAOYSA-N- Summenformel
- C9H18O
- Durchschnittliche Molmasse
- 142,24 g/mol
- Monoisotopische Masse
- 142,1357652
Überblick
Methyl heptyl ketone is a colorless liquid. (USCG, 1999)
Namen und Bezeichner
- Bevorzugter Name
- 2-Nonanone
- IUPAC
- nonan-2-one
- Englischer Name
- 2-Nonanone
- Summenformel
- C9H18O
- Molmasse
- 142.23862
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
821-55-6- PubChem CID
- 13187
- DTXSID
DTXSID2022125- ChEMBL
CHEMBL2228473- ChEBI
CHEBI:77927- UNII
- ZE5K73YN2Z
- EC Number
- 212-480-0
- Nikkaji
- J7.123D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 86,7
Experimentelle und physikochemische Eigenschaften
LogP
3.14
3.18
Density
0.832 (USCG, 1999) - Less dense than water; will float
0.817-0.823
0.832 @ 30°C
Solubility
0.371 mg/mL at 25 °C
soluble in alcohol, propylene glycol, oil; insoluble in water
1 ml in 1 ml 95% alcohol (in ethanol)
Boiling Point
377.6 °F at 743 mmHg (USCG, 1999)
192.00 °C. @ 743.00 mm Hg
195 °C
194 °C @760 [mm Hg]
Melting Point
-5.8 °F (USCG, 1999)
-15 °C
-9 °C
Physikochemische Eigenschaften
- Schmelzpunkt
- -7.5 °C · -7.5 °C
- Siedepunkt
- 195.3 °C · 195.3 °C
- Dichte
- 0.8188 g/cm3 · 0.8188 g/cm3(Temp: 22 °C)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.5% (9 of 1697) of reports.
Warning
H315 (99.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 1697 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Nonanone
Regulation (EC) No 1831/2003 (amended)
Status: Active Update: 16-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17523
2-Nonanone: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
Ketones, such as METHYL HEPTYL KETONE, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
9.6 [mg/m3]
110 [mg/m3]
630 [mg/m3]
Toxikologische Informationen
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
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