Grundinformationen
- CAS
122-74-7- Standard-SMILES
CCC(=O)OCCCc1ccccc1- InChIKey
GTNCESCYZPMXCJ-UHFFFAOYSA-N- Summenformel
- C12H16O2
- Durchschnittliche Molmasse
- 192,25 g/mol
- Monoisotopische Masse
- 192,11502975
Überblick
3-Phenylpropyl propanoate is a member of benzenes.
Namen und Bezeichner
- Bevorzugter Name
- 3-Phenylpropyl propanoate
- IUPAC
- 3-phenylpropyl propanoate
- Lokaler Name
- 3-Phenylpropylpropionat
- Englischer Name
- 3-PHENYL PROPYL PROPIONATE
- Summenformel
- C12H16O2
- Molmasse
- 192.25
Namen und Synonyme
3-Phenylpropyl propanoate3-Phenylpropyl propionate122-74-7Hydrocinnamyl propionatePhenylpropyl propionateBenzenepropanol, 1-propanoateBENZENEPROPANOL, PROPANOATE3-Phenyl-1-propanol propionate1-Propanol, 3-phenyl-, propionateFEMA No. 2897NSC 6032EINECS 204-571-9
Weitere Namen anzeigen
FEMA 2897Metformin Impurity 46phenylpropylpropionate3-Phenylpropylpropionat3-PHENYL PROPYL PROPIOTE3-PHENYL PROPYL PROPIONATEBenzenepropanol,propanoatebeta-phenylpropylpropionate
BRN 3272005AI3-18535NSC-6032C4756E9F55DTXSID808617573-PHENYLPROPYL PROPANOATE [FHFI]RefChem:504984DTXCID40810640
Datenbank-Bezeichner
- CAS
122-74-7- PubChem CID
- 61052
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 160
Experimentelle und physikochemische Eigenschaften
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.995-1.005
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
insoluble in water; soluble in oils
miscible (in ethanol)
Boiling Point
279.00 to 280.00 °C. @ 760.00 mm Hg
265 °C
Refractive Index1.488-1.495
Physical DescriptionColourless liquid, heavy floral balsamic odour
Physikochemische Eigenschaften
- Siedepunkt
- 247 °C · 247 °C(lit.)
- Dichte
- 1 g/mL · 1.0 g/mL at 25 °C(lit.)
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 85.8% (235 of 274) of all reports.
Warning
H315 (14.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 274 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenepropanol, propanoate
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzenepropanol, propanoate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (14.2%)
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- RTECS-Nr.
- UB9338400
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsMembrane
Verwendung und Herstellung
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzenepropanol, 1-propanoate: ACTIVE
Anwendungen
OccurrenceReported found in guava fruit.
Verwenden3-Phenylpropyl propionate finds a little use in perfume compositions, particularly as part of the Narcisse fragrance picture. It is also used more generally as a sweetener in case that spicy notes are less desirable.It is also useful in Mimosa compositions with Anisyl acetate, Anisyl alcohol, etc.
Darstellung
synthetischeBy esterification of phenylpropyl alcohol with propionic acid.
Anbieter7 Anbieter
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
河北贞佳新材料有限公司0319-5925599 13315915972 · [email protected]
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