HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Diethoxymethyl-1,3-benzodioxol
Nsc20028 · PIPERONAL DIETHYL ACETAL · Heliotropine dierhylacetal · HELOITROPIN DIETHYL ACETAL · Heliotropin diethyl acetal · heliotropyl diethyl acetal · Heliotropine diethyl acetal · 5-diethoxymethyl-1,3-benzodioxole
Identifikatoren & physikalische Daten
| CAS No. | 40527-42-2 |
|---|---|
| Summenformel | C12H16O4 |
| Durchschnittliche Molmasse | 224,25 g/mol |
| Monoisotopische Masse | 224,10485899 g/mol |
| SMILES | CCOC(OCC)c1ccc2c(c1)OCO2 |
| InChIKey | YDQLGNDCYHZHEE-UHFFFAOYSA-N |
| PubChem CID | 95136 |
| EC No. | 254-956-0 |
| DTXSID | DTXSID5068233 |
| Lokaler Name | 5-Diethoxymethyl-1,3-benzodioxol |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 36,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 203 |
| Duftstoffe | Fragrance Ingredient (1,3-Benzodioxole, 5-(diethoxymethyl)-) -> IFRA transparency List |
| Siedepunkt | 285.65°C (rough estimate) |
| Dichte | 1.0435 (rough estimate) |
| Dampfdruck | 0.243-9.17Pa at 20-60℃ |
| Brechungsindex | 1.4560 (estimate) |
| Aggregatzustand | Liquid |
| Farbe | Needlelike crystals, white or colorless |
| Geruch | Virtually odorless, pronounced bitter taste. |
| Geruchsart | floral |
| LogP (Verteilungskoeffizient) | 2.14 at 20℃ and pH7 |
| EPA chemische Informationen | 1,3-Benzodioxole, 5-(diethoxymethyl)- (40527-42-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 87% (80 of 92) of all reports.WarningH302 (13%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 92 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 1,3-Benzodioxole, 5-(diethoxymethyl)-REACH registered substance: 5-diethoxymethyl-1,3-benzodioxole (EC: 254-956-0)1,3-Benzodioxole, 5-(diethoxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (13%) |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
Glucose-penta-acetate is used as a bitter principle in food products, mainly spice blends, condiments, alcoholic beverages, etc. The concentration used is equivalent to about 100 to 1500 ppm in the finished consumer product.