3-Decanol
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Grundinformationen
- CAS
1565-81-7- Standard-SMILES
CCCCCCCC(O)CC- InChIKey
ICEQLCZWZXUUIJ-UHFFFAOYSA-N- Summenformel
- C10H22O
- Durchschnittliche Molmasse
- 158,28 g/mol
- Monoisotopische Masse
- 158,16706532
Überblick
Decan-3-ol is a secondary alcohol that is decane substituted by a hydroxy group at position 3. It has a role as an Arabidopsis thaliana metabolite, a pheromone, a flavouring agent and an animal metabolite. It is a decanol and a secondary alcohol.
Namen und Bezeichner
- Bevorzugter Name
- 3-Decanol
- IUPAC
- decan-3-ol
- Englischer Name
- 3-DECANOL
- Summenformel
- C10H22O
- Molmasse
- 158.28
Namen und Synonyme
3-Decanoldecan-3-olEthyl heptyl carbinolHeptyl ethyl carbinolEthyl n-heptyl carbinol3-HYDROXYDECANEFEMA No. 3605UNII-WTY84QBP4TWTY84QBP4TDL-DECAN-3-OL3-DECANOL [FHFI]1-ETHYL-1-OCTANOL
Weitere Namen anzeigen
3-Decanoi3-Decanol>3-HYDROXYDECANE3-DECYL ALCOHOLETHYLHEPTYLCARBINOLETHYL-N-HEPTYLCARBINOL3-Decyl Alcohol Ethylheptylcarbinol
AI3-19948DTXSID50862695FEMA 3605RefChem:93621(+-)-3-DECANOLDTXCID908114253-DECANOL, (+-)-605-062-8
Datenbank-Bezeichner
- CAS
1565-81-7- PubChem CID
- 519158
- DTXSID
DTXSID50862695- ChEBI
CHEBI:195405- UNII
- WTY84QBP4T
- EC Number
- 605-062-8
- Nikkaji
- J80.234D
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 20,2 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 71,3
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
SolventsSolvents -> Alcohols (<C12)
SpringerMaterials PropertiesDensity
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.826-0.832
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water
(in ethanol)
Boiling Point211 °C
Refractive Index1.435-1.439
Physical Description
Liquid; [Alfa Aesar MSDS]
colourless to pale yellow liquid with a floral odour
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
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Not Classified
Gefahrenhinweise
Regulatory Information
Chemical: 3-Decanol
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
3-Decanol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] An irritant; [Alfa Aesar MSDS] See 1-Decanol.
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Toxikologische Informationen
Adverse EffectsNeurotoxin - Acute solvent syndrome
Sicherheitsdaten
- wgk
- WGK 3
- tsca
- TSCA listed
- risk_code
- 36/37/38-20/21/22
- hazard_code
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information3-Decanol: ACTIVE
Anwendungen
OccurrenceReported found in mint, French fried potato and spearmint oil.
Zugehörige Reaktionen
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