Grundinformationen
- CAS
2305-25-1- Standard-SMILES
CCCC(O)CC(=O)OCC- InChIKey
LYRIITRHDCNUHV-UHFFFAOYSA-N- Summenformel
- C8H16O3
- Durchschnittliche Molmasse
- 160,21 g/mol
- Monoisotopische Masse
- 160,10994437
Überblick
Ethyl 3-hydroxyhexanoate is a fatty acid ester that is the ethyl ester of 3-hydroxyhexanoic acid. It is functionally related to a 3-hydroxyhexanoic acid.
Namen und Bezeichner
- Bevorzugter Name
- Ethyl 3-hydroxyhexanoate
- IUPAC
- ethyl 3-hydroxyhexanoate
- Lokaler Name
- Ethyl-3-hydroxyhexanoat
- Englischer Name
- ETHYL 3-HYDROXYHEXANOATE
- Summenformel
- C8H16O3
- Molmasse
- 160.21
Namen und Synonyme
Ethyl 3-hydroxyhexanoate2305-25-1Hexanoic acid, 3-hydroxy-, ethyl esterEthyl beta-hydroxycaproateFEMA No. 35452M3L6B34FFEthyl 3-hydroxycaproateethyl 3-hydroxy-hexanoateCHEBI:239973-hydroxy-hexanoic acid ethyl esterEINECS 218-973-7ETHYL 3-HYDROXYHEXANOATE [FHFI]
Weitere Namen anzeigen
FEMA 35453-HYDROXYHEXANOATEETHYL 3 HYDROXY CAPROATEEthyl 3-hydroxybhexanoate3-hydroxy-ethyl hexanoate
WE(2:0/6:0(3OH))DTXSID10862898CAPROIC ACID, .BETA.-HYDROXY-, ETHYL ESTERRefChem:594986(+-)-Ethyl 3-HydroxyhexanoateDTXCID30811601ETHYL 3-HYDROXYHEXANOATE, (+-)-CAPROIC ACID, BETA-HYDROXY-, ETHYL ESTER
Datenbank-Bezeichner
- CAS
2305-25-1- PubChem CID
- 61293
- DTXSID
DTXSID10862898- ChEBI
CHEBI:23997
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 112
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710]
FragrancesFragrance Ingredient (Ethyl 3-hydroxyhexanoate) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.967-0.976
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water and oils
(in ethanol)
Boiling Point
101.00 to 102.00 °C. @ 14.00 mm Hg
101-102 °C (14 mm Hg); 62 °C (0.7 mm Hg); 90 °C (10 mm Hg)
Refractive Index1.423-1.433
Physical Descriptioncolourless to pale yellow liquid with fruity 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
This chemical does not meet GHS hazard criteria for > 99.9% (1457 of 1458) of all reports.
Not Classified
Aggregated GHS information provided per 1458 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Hexanoic acid, 3-hydroxy-, ethyl ester
Hexanoic acid, 3-hydroxy-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Hexanoic acid, 3-hydroxy-, ethyl ester: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29181990
- safety_code
- 24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
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
General Manufacturing InformationHexanoic acid, 3-hydroxy-, ethyl ester: ACTIVE
Anwendungen
OccurrenceReported found in citrus, grape, orange, grapefruit and tangerine juice, orange peel oil, pineapple, strawberry, cognac, Scotch whiskey, red and white wine, passion fruit, mango, quince, wood apple, mountain papaya, pawpaw and hog plum (Spondias mombins L.).
VerwendenEthyl 3-Hydroxyhexanoate is a general volatile organic compound which contributes to the scent and flavor profile of various fruits such as guava fruit and bananas.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
8
Notizen zur Verbindung
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