Grundinformationen
- Standard-SMILES
C=COC(=O)CCCCCCCCCCC- InChIKey
GLVVKKSPKXTQRB-UHFFFAOYSA-N- Summenformel
- C14H26O2
- Durchschnittliche Molmasse
- 226,35 g/mol
- Monoisotopische Masse
- 226,19328007
Überblick
vinyl laurate has been reported in Pilocarpus jaborandi with data available.
Namen und Bezeichner
- Bevorzugter Name
- Vinyl laurate
- IUPAC
- ethenyl dodecanoate
- Lokaler Name
- Vinyllaurat
- Englischer Name
- VINYL LAURATE
- Summenformel
- C14H26O2
- Molmasse
- 226.35
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2146-71-6- PubChem CID
- 75069
- DTXSID
DTXSID7074953- UNII
- CP59R9UN62
- EC Number
- 218-414-7
- Nikkaji
- J42.302E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,8
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 12
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 176
Physikochemische Eigenschaften
- Schmelzpunkt
- 7 ℃ · 7℃
- Siedepunkt
- 254 °C/1013 · 254 °C/1013 hPa (lit.)
- Dichte
- 0.871 g/mL · 0.871 g/mL at 20 °C (lit.)
- Dampfdruck
- 0.28 Pa · 0.28Pa at 24.85℃
- Brechungsindex
- 20 · n20/D 1.441
- Flammpunkt
- 136 °C · 136 °C
- Löslichkeit
- 2 O: · H2O: slightly soluble1g/L at 20°C
- Aggregatzustand
- clear liquid
- Farbe
- Colorless to Light yellow
- Wasserlöslichkeit
- 2 O: · H2O: slightly soluble 1g/L at20°C
- BRN
- 1778369 · 1778369
- InChI
- 1S/C14H26O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h4H,2-3,5-13H2,1H3
- InChIKey
- GLVVKKSPKXTQRB-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCC(=O)OC=C
- LogP
- 5.92 at · 5.92 at 20℃
- CAS Datenbank
- 2146 · 2146-71-6(CAS DataBase Reference)
- EPA chemische Informationen
- Dodecanoic acid, ethenyl ester (2146-71-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (107 of 107) of all reports.
Not Classified
Aggregated GHS information provided per 107 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 10-09-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/1546
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29159000
- safety_code
- 23-24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
VerwendenVinyl laurate was used in the synthesis of laurate and stearate esters of corn starch. It was used as the acyl donor during synthesis of sucrose laurate esters catalyzed by Bacillus pseudofirmus AL-89 . Vinyl laurate was also used in the preparation of chirally deuterated benzyl chlorides.
Darstellung
synthetischeA method for the preparation of vinyl laurate: In a 500-ml round-bottomed three-necked flask fitted with a thermometer, a reflux condenser and a gas inlet tube through which a stream of nitrogen is passed, place 206 g (2.4 moles) of freshly distilled vinyl acetate and 80 g (0.4 moles) of lauric acid. The lauric acid is dissolved by heating, and 1.6 g of mercuric acetate is added. The mixture is shaken by hand for approximately 30 minutes, and 0.15 ml of 100% sulphuric acid is added dropwise. The solution is heated under reflux for 3 hours, then 0.83 g of sodium acetate trihydrate is added to neutralise the sulphuric acid. The excess vinyl acetate is recovered by distillation at atmospheric pressure (vapour temperature approximately 70–80°C) until the pot temperature reaches 125°C. The distillation is completed at a pressure of 10 mm Hg or lower; after collecting a small amount of low-boiling-point material, redistillation yields 48–53 g (53–59%) of pure vinyl laurate.
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