Grundinformationen
- CAS
5457-70-5- Standard-SMILES
CCCCCCCC(=O)OCCc1ccccc1- InChIKey
ASETYIALRXDVDF-UHFFFAOYSA-N- Summenformel
- C16H24O2
- Durchschnittliche Molmasse
- 248,36 g/mol
- Monoisotopische Masse
- 248,17763
Überblick
2-Phenylethyl octanoate is a fatty acid ester.
Namen und Bezeichner
- Bevorzugter Name
- Phenethyl octanoate
- IUPAC
- 2-phenylethyl octanoate
- Lokaler Name
- Phenethyloctanoat
- Englischer Name
- FEMA 3222
- Summenformel
- C16H24O2
- Molmasse
- 248.36
Namen und Synonyme
Phenethyl octanoate2-Phenylethyl octanoatePhenylethyl octanoate2-Phenethyl octanoateOctanoic acid, phenethyl esterOctanoic acid, 2-phenylethyl esterPhenethyl caprylatePhenylethyl caprylatePhenylethyl n-octanoateFEMA No. 3222UNII-89J4RI53EZ89J4RI53EZ
Weitere Namen anzeigen
FEMA 3222Ethyl bitternessFEMA 3222 USP/EP/BPPHENYLETHYL-CAPRYLATEPhenethyl n-Octanoate
EINECS 226-718-6NSC 23950NSC-239502-Phenylethyl-n-octanoate2-Phenyl ethyl-N-octanoateAI3-31010Octanoic acid phenylethyl esterDTXSID4063909
Datenbank-Bezeichner
- CAS
5457-70-5- PubChem CID
- 229888
- DTXSID
DTXSID4063909- ChEBI
CHEBI:171699- UNII
- 89J4RI53EZ
- EC Number
- 226-718-6
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,1
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 207
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (Phenethyl octanoate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.973-0.977 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; soluble in oils
Miscible at room temperature (in ethanol)
Boiling Point
295.00 to 296.00 °C. @ 760.00 mm Hg
295.5 °C; 143.5 °C (1.5 mm Hg)
Refractive Index1.479-1.486
Physical DescriptionColourless oily liquid; mild fruity wine-like odour
Physikochemische Eigenschaften
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (94 of 94) of all reports.
Not Classified
Aggregated GHS information provided per 94 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Octanoic acid, 2-phenylethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Octanoic acid, 2-phenylethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Octanoic acid, 2-phenylethyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2915.90.2000
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationOctanoic acid, 2-phenylethyl ester: ACTIVE
Anwendungen
OccurrenceReported found in beer, rum, cider, white wine, port wine and botrytised wine.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter33 Anbieter
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…