Nonan-3-ol
3-Nonanol
Grundinformationen
- CAS
624-51-1- Standard-SMILES
CCCCCCC(O)CC- InChIKey
GYSCXPVAKHVAAY-UHFFFAOYSA-N- Summenformel
- C9H20O
- Durchschnittliche Molmasse
- 144,25 g/mol
- Monoisotopische Masse
- 144,15141526
Überblick
Nonan-3-ol is a secondary alcohol that is nonane substituted by a hydroxy group at position 3. It has a role as a rat metabolite. It is a nonanol and a secondary alcohol.
Namen und Bezeichner
- Bevorzugter Name
- 3-Nonanol
- IUPAC
- nonan-3-ol
- Lokaler Name
- Nonan-3-ol
- Englischer Name
- 3-Nonanol
- Summenformel
- C9H20O
- Molmasse
- 144.25
Namen und Synonyme
3-NONANOL624-51-1HexylethylcarbinolEthylhexylcarbinolEthyl hexyl carbinolNONANOL-3EINECS 210-850-6UNII-047779Z489DL-NONAN-3-OLAI3-37211DTXSID50862317047779Z489
Weitere Namen anzeigen
3-Nonanol>DL-3-NONANOL3-Nonanol,98%3-Hydroxynonane3-NONYL ALCOHOLN-HEXYLETHYLCARBINOLETHYL HEXYL CARBINEL
RefChem:95068(+-)-3-NONANOLDTXCID908111023-NONANOL, (+-)-210-850-6GYSCXPVAKHVAAY-UHFFFAOYSA-Nnonan-3-olMFCD00014411
Datenbank-Bezeichner
- CAS
624-51-1- PubChem CID
- 12216
- DTXSID
DTXSID50862317- ChEMBL
CHEMBL487999- ChEBI
CHEBI:165508- UNII
- 047779Z489
- EC Number
- 210-850-6
- Nikkaji
- J96.507C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 61,7
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
LogP3.36
Flavoring AgentsEU Flavoring substances
Solubility0.315 mg/mL at 25 °C
Boiling Point195.00 °C. @ 760.00 mm Hg
Physikochemische Eigenschaften
- Schmelzpunkt
- 22 °C · 22°C
- Siedepunkt
- 192 · 192-194 °C(lit.)
- Dichte
- 0.824 g/mL · 0.824 g/mL at 20 °C(lit.)
- Brechungsindex
- 20 · n20/D 1.431
- Flammpunkt
- 79 °C · 79°C
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Very slightly soluble in water, soluble in alcohol and oils.
- pka
- 15.44 · 15.44±0.20(Predicted)
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 97.8% (89 of 91) of all reports.
Not Classified
Aggregated GHS information provided per 91 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 3-Nonanol
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
3-Nonanol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 3-Nonanol: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3082 9/PG 3
- hs_code
- 2905199090
- risk_code
- 51/53
- hazard_code
- N
- safety_code
- 61
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
General Manufacturing Information3-Nonanol: ACTIVE
Anwendungen
Verwenden3-nonanol has been used in perfume compositions mainly because it was inexpensive, derived from a large-scale manufactured industrial chemical, but it has also served as intermediate in the manufacture of a number of new perfume chemicals, including the hydroxylated alcohols for Lavender and Jasmin type odors.As long as this material is available at a very low cost, it can probably find use in low-cost detergent perfumes, etc. as supporting note for fresh-herbaceous fragrances, for odor power and in fantasy fragrances.
Zugehörige Reaktionen
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Notizen zur Verbindung
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