Grundinformationen
- CAS
710-04-3- Standard-SMILES
CCCCCCC1CCCC(=O)O1- InChIKey
YZRXRLLRSPQHDK-UHFFFAOYSA-N- Summenformel
- C11H20O2
- Durchschnittliche Molmasse
- 184,27 g/mol
- Monoisotopische Masse
- 184,14632988
Überblick
6-Hexyltetrahydro-2H-pyran-2-one is a delta-lactone.
Namen und Bezeichner
- Bevorzugter Name
- delta-UNDECALACTONE
- IUPAC
- 6-hexyloxan-2-one
- Lokaler Name
- 6-Hexyltetrahydro-2H-pyran-2-on
- Englischer Name
- Undecanolactone
- Summenformel
- C11H20O2
- Molmasse
- 184.28
Namen und Synonyme
710-04-3delta-Undecalactone6-Hexyltetrahydro-2H-pyran-2-one6-hexyloxan-2-one5-Undecanolide2H-PYRAN-2-ONE, 6-HEXYLTETRAHYDRO-Undecanoic delta-lactone5-Hydroxyundecanoic acid lactoneUndecanolide-1,5delta-UndecanolactoneFEMA No. 3294delta-Hexylvalerolactone
Weitere Namen anzeigen
δ-UndecalactoneDELTA-UNDECANOICLACTONEFEMA 3294UndecanoicUndecan-5-olideN-undecanolide
Delta undecalactone.delta.-Hexylvalerolactone.delta.-UndecalactoneDTXSID9047099AI3-36029EINECS 211-915-12H-Pyran-2-one, tetrahydro-3-hexyl-5-Hexyl-5-hydroxypentanoic acid lactone
Datenbank-Bezeichner
- CAS
710-04-3- PubChem CID
- 61204
- DTXSID
DTXSID9047099- ChEMBL
CHEMBL372447- ChEBI
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 154
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Lactones
FragrancesFragrance Ingredient (delta-Undecalactone) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.956-0.961
Flavoring AgentsEU Flavoring substances
Solubility1 ml in 1 ml 95% alcohol (in ethanol)
Boiling Point
152.00 to 155.00 °C. @ 10.50 mm Hg
152-155 °C (10.5 mm Hg)
Refractive Index1.457-1.461
Physical Description
Colorless liquid; [Sigma-Aldrich MSDS]
colourless to pale yellow liquid with a creamy, peach-like odour
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 97.2% (1466 of 1509) of all reports.
Not Classified
Aggregated GHS information provided per 1509 reports by companies from 6 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 2H-Pyran-2-on,e, 6-hexyltetrahydro-
Regulation (EC) No 1831/2003 (amended)
REACH registered substance: 6-hexyltetrahydro-2H-pyran-2-one (EC: 211-915-1)
2H-Pyran-2-one, 6-hexyltetrahydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA moderate skin irritant; [RTECS] Safe when used as a flavoring agent in food; [JECFA] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See gamma-Nonalactone.
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 2932.20.5050
- RTECS-Nr.
- UQ1320000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information2H-Pyran-2-one, 6-hexyltetrahydro-: ACTIVE
Anwendungen
OccurrenceReported found in coconut flavor, melon, blackberry, blueberry, heated butter, milk, milk powder, cream, coconut meat and starfruit.
VerwendenPerfumery, flavoring agent.
Darstellung
synthetischeBy intramolecular Cannizzaro-type rearrangement of 2-hexylglutaraldehyde.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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