Grundinformationen
- Standard-SMILES
C=CCOC(=O)c1ccccc1- InChIKey
LYJHVEDILOKZCG-UHFFFAOYSA-N- Summenformel
- C10H10O2
- Durchschnittliche Molmasse
- 162,18 g/mol
- Monoisotopische Masse
- 162,06807956
Überblick
Allyl benzoate is a benzoate ester.
Namen und Bezeichner
- Bevorzugter Name
- Allyl benzoate
- IUPAC
- prop-2-enyl benzoate
- Lokaler Name
- Allylbenzoat
- Englischer Name
- ALLYL BENZOATE
- Summenformel
- C10H10O2
- Molmasse
- 162.19
Namen und Synonyme
Allyl benzoateBenzoic acid, 2-propenyl esterBenzoic acid, allyl ester2-Propenyl benzoateprop-2-en-1-yl benzoateUNII-AQY5543KFEAQY5543KFEMONOALLYL BENZOATENSC 32639NSC-32639EINECS 209-494-4NSC 406846
Weitere Namen anzeigen
Allylbenzoate,97%Allyl Benzoate >2-Propenyl benzoateprop-2-enyl benzoateBENZOIC ACID ALLYL ESTERbenzoicacid,2-propenylesterALLYL BENZOATE ISO 9001：2015 REACHAllyl benzoate,98%(stabilized with MEHQ)
NSC-406846AI3-07823ALLYL ALCOHOL, BENZOATEDTXSID9073913Benzoic acid, allyl ester (8CI)BENZOIC ACID, 2-PROPEN-1-YL ESTERRefChem:110859ALLYL BENZOATE [INCI]
Datenbank-Bezeichner
- CAS
583-04-0- PubChem CID
- 11406
- DTXSID
DTXSID9073913- ChEMBL
CHEMBL4078776- ChEBI
CHEBI:183024- UNII
- AQY5543KFE
- EC Number
- 209-494-4
- Nikkaji
- J95.036J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 157
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesOptical coefficient
Boiling Point82.00 to 85.00 °C. @ 5.00 mm Hg
Physikochemische Eigenschaften
- Siedepunkt
- 83 · 83-84°C 5mm
- Dichte
- 1.05 · 1.05
- Brechungsindex
- 1.516 · 1.5160-1.5190
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow to Light orange
- Geruch (Odor)
- 100 % · at 100.00 %. sweet floral cherry berry
- Geruchsart
- fruity
- LogP
- 3.024 · 3.024 (est)
- CAS Datenbank
- 583 · 583-04-0
- EPA chemische Informationen
- Benzoic acid, allyl ester (583-04-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationChemical: Benzoic acid, 2-propenyl ester
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- hs_code
- 2916399090
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Darstellung
synthetischeAllyl benzoate is produced by direct esterification (azeotropic) of Allyl alcohol and Benzoic acid.
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