2-Ethyl-3-hydroxy-4H-pyran-4-on
Ethyl Maltol
Grundinformationen
- CAS
4940-11-8- Standard-SMILES
CCc1occc(=O)c1O- InChIKey
YIKYNHJUKRTCJL-UHFFFAOYSA-N- Summenformel
- C7H8O3
- Durchschnittliche Molmasse
- 140,14 g/mol
- Monoisotopische Masse
- 140,04734411
Überblick
Ethyl maltol is a pyranone.
Namen und Bezeichner
- Bevorzugter Name
- Ethyl Maltol
- IUPAC
- 2-ethyl-3-hydroxypyran-4-one
- Lokaler Name
- 2-Ethyl-3-hydroxy-4H-pyran-4-on
- Englischer Name
- Ethyl maltol
- Summenformel
- C7H8O3
- Molmasse
- 140.14
Namen und Synonyme
Ethyl maltol2-Ethyl-3-hydroxy-4H-pyran-4-one4940-11-82-Ethyl-3-hydroxy-4-pyroneEthylmaltolVeltol plus3-Hydroxy-2-ethyl-4-pyrone2-ethyl-3-hydroxypyran-4-one2-Ethylpyromeconic acid4H-PYRAN-4-ONE, 2-ETHYL-3-HYDROXY-Ethyl HydroxypyroneFEMA No. 3487
Weitere Namen anzeigen
FEMA 34876-ETHYL-3-HYDROXY-2-METHYL-4H-PYRAN-4-ONE2-ethyl-3-hydroxy-4-pyranoneveltolplusethyl mantol
2-Ethyl pyromeconic acidDTXSID5041516L6Q8K29L05NSC638851NSC-638851DTXCID3021516RefChem:138985225-582-5
Datenbank-Bezeichner
- CAS
4940-11-8- PubChem CID
- 21059
- DTXSID
DTXSID5041516- ChEMBL
CHEMBL121557- ChEBI
CHEBI:169105- UNII
- L6Q8K29L05
- EC Number
- 225-582-5
- Nikkaji
- J35.389B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 213
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (Ethyl maltol) -> IFRA transparency List
LogP
0.630
0.6
Food AdditivesCOLOR OR COLORING ADJUNCT, FLAVORING AGENT OR ADJUVANT, PROCESSING AID -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Sparingly soluble in water, soluble in propylene glycol
Soluble (in ethanol)
Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Boiling Point289.00 to 290.00 °C. @ 760.00 mm Hg
Melting Point90 - 91 °C
Physical Description
Solid
White crystalline powder; Sweet fruit-like aroma
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 0.3% (7 of 2365) of reports.
Warning
H302 (99.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2365 reports by companies from 7 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 4H-Pyran-4-one, 2-ethyl-3-hydroxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 2-ethyl-3-hydroxy-4-pyrone (EC: 225-582-5)
4H-Pyran-4-one, 2-ethyl-3-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (99.7%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29329990
- RTECS-Nr.
- UQ0840000
- risk_code
- 22
- Toxizität
- LD50 orally in male mice, male rats, female rats, chicks (mg/kg): 780, 1150, 1200, 1270 (Gralla)
- hazard_code
- Xn
- safety_code
- 36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
Household ProductsInformation on 92 consumer products that contain Ethyl Hydroxypyrone in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENTFood Additives -> FLAVOUR_ENHANCER; STABILIZER -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information4H-Pyran-4-one, 2-ethyl-3-hydroxy-: ACTIVE
Anwendungen
OccurrenceHas apparently not been reported to occur in nature.
VerwendenEthyl Maltol is a flavoring agent that is a white, crystalline powder. it has a unique odor and a sweet taste that resembles fruit. the melt- ing point is 90°c. it is sparingly soluble in water and propylene gly- col and soluble in alcohol and chloroform. it is obtained by chemical synthesis.
Darstellung
synthetischeSeveral syntheses have been developed for its preparation. In a one-pot process, for example, -ethylfurfuryl alcohol is treated with halogen to give 4-halo- 6-hydroxy-2-ethyl-2H-pyran-3(6H)-one, which need not be isolated and can be converted to ethylmaltol by aqueous hydrolysis.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
26
Notizen zur Verbindung
Wird geladen…