Phenethyl hexanoate
Grundinformationen
- CAS
6290-37-5- Standard-SMILES
CCCCCC(=O)OCCc1ccccc1- InChIKey
BUYNWUMUDHPPDS-UHFFFAOYSA-N- Summenformel
- C14H20O2
- Durchschnittliche Molmasse
- 220,31 g/mol
- Monoisotopische Masse
- 220,14632988
Überblick
phenethyl hexanoate has been reported in Nicotiana tabacum with data available.
Namen und Bezeichner
- Bevorzugter Name
- Phenethyl hexanoate
- IUPAC
- 2-phenylethyl hexanoate
- Englischer Name
- FEMA 3221
- Summenformel
- C14H20O2
- Molmasse
- 220.31
Namen und Synonyme
2-Phenylethyl hexanoatePHENETHYL HEXANOATE6290-37-52-Phenethyl hexanoateHexanoic acid, 2-phenylethyl esterPhenylethyl caproateHexanoic acid, phenethyl ester2-Phenylethyl caproateBenzylcarbinyl caproatePhenylethyl hexanoateBenzylcarbinyl hexanoateFEMA No. 3221
Weitere Namen anzeigen
FEMA 3221PHENETHYL CAPROATEPHENYL ETHYL HEXANOATE2-PhenylethylhexanoatePhenylethyl n-hexanoate
DTXSID5047584NSC 6651X7R57M68KRNSC-6651EINECS 228-538-3AI3-22073DTXCID3027584PHENETHYL HEXANOATE [FHFI]
Datenbank-Bezeichner
- CAS
6290-37-5- PubChem CID
- 61384
- DTXSID
DTXSID5047584- ChEMBL
CHEMBL3185758- UNII
- X7R57M68KR
- EC Number
- 228-538-3
- Nikkaji
- J155.068C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,2
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 183
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (Phenethyl hexanoate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.969-0.980
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point263 °C
Refractive Index1.480-1.488
Physical DescriptionColourless oily liquid; fruity-green, rosy, fresh pineapple-like, banana-like odour
Physikochemische Eigenschaften
- Siedepunkt
- 144 · 144-146 °C(Press: 2 Torr)
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 100% (91 of 91) of all reports.
Not Classified
Aggregated GHS information provided per 91 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Hexanoic acid, 2-phenylethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hexanoic acid, 2-phenylethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Hexanoic acid, 2-phenylethyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationHexanoic acid, 2-phenylethyl ester: ACTIVE
Anwendungen
OccurrenceReported found in Burley tobacco, yellow passion fruit, blue cheese, beer, cognac, malt whiskey, cider, sherry, white wine, red wine, botrytised wine, rum, apple brandy, grape brandy, lamb’s lettuce and sea buckthorn.
VerwendenPhenethyl hexanoate is used in flavor compositions as a modifier in Banana, Pineapple, Strawberry, Peach, and other imitation flavors. The concentration is usually about 2 to 8 ppm in the finished product, but the title ester is not included in the American G. R.A.S. list and it can therefore not be used in food flavors in the U.S.A.
Anbieter36 Anbieter
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司
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