Grundinformationen
- CAS
5452-07-3- Standard-SMILES
CC(C)CC(=O)OCCCc1ccccc1- InChIKey
LBNFCOMOXOWXCD-UHFFFAOYSA-N- Summenformel
- C14H20O2
- Durchschnittliche Molmasse
- 220,31 g/mol
- Monoisotopische Masse
- 220,14632988
Überblick
3-Phenylpropyl isovalerate is a fatty acid ester.
Namen und Bezeichner
- Bevorzugter Name
- 3-Phenylpropyl isovalerate
- IUPAC
- 3-phenylpropyl 3-methylbutanoate
- Lokaler Name
- 3-Phenylpropylisovalerat
- Englischer Name
- FEMA 2899
- Summenformel
- C14H20O2
- Molmasse
- 220.31
Namen und Synonyme
3-Phenylpropyl isovalerate3-Phenylpropyl 3-methylbutanoate5452-07-3Hydrocinnamyl isovalerate3-Phenylpropyl isopentanoateButanoic acid, 3-methyl-, 3-phenylpropyl ester9UT5Q9TKW9FEMA No. 2899Hydrocinnamyl 3-methylbutanoateNSC-219013-Phenylpropyl isovalerianateDTXSID50202931
Weitere Namen anzeigen
FEMA 2899PHENYL-3-PROPYL-ISO-VALERATE3-Phenylpropyl-β-methylbutyrate3-PHENYLPROPYL ISOVALERATE 99+%Isovaleric acid, 3-phenylpropyl ester3-Methylbutyric acid 3-phenylpropyl ester3-Methylbutanoic acid 3-phenylpropyl ester
EINECS 226-692-6NSC 21901Phenylpropyl 3-methylbutanoate, beta-3-PHENYLPROPYL ISOVALERATE [FHFI]RefChem:504983DTXCID80125422226-692-61297527
Datenbank-Bezeichner
- CAS
5452-07-3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 193
Experimentelle und physikochemische Eigenschaften
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.962-0.971
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
insoluble in water; soluble in oils
miscible (in ethanol)
Boiling Point
280.00 to 285.00 °C. @ 760.00 mm Hg
280 °C
Refractive Index1.482-1.489
Physical DescriptionColourless liquid, strawberry-prune-plum-like odour
Physikochemische Eigenschaften
- Siedepunkt
- 285 °C · 285 °C(lit.)
- Dichte
- 0.98 g/mL · 0.98 g/mL at 25 °C(lit.)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Butanoic acid, 3-methyl-, 3-phenylpropyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Butanoic acid, 3-methyl-, 3-phenylpropyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Butanoic acid, 3-methyl-, 3-phenylpropyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- wgk
- 3
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Verwendung und Herstellung
Use Classification
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
Darstellung
synthetischeMay be prepared by esterification of phenylpropyl alcohol with isovaleric acid.
Anbieter11 Anbieter
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
吉良化学21-62165282 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
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