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α-Methyl-1,3-benzodioxol-5-propionaldehyd
HELIONAL · Floramelon · Tropional · Heliogan · Ocean propanal · α-methyl-1,3-benzodioxole-5-propionaldehyde · alpha-methyl-1,3-benzodioxole-5-propionaldehyde · Helional[IFF]
Identifikatoren & physikalische Daten
| CAS No. | 1205-17-0 |
|---|---|
| Summenformel | C11H12O3 |
| Durchschnittliche Molmasse | 192,21 g/mol |
| Monoisotopische Masse | 192,07864424 g/mol |
| SMILES | CC(C=O)Cc1ccc2c(c1)OCO2 |
| InChIKey | BOPPSUHPZARXTH-UHFFFAOYSA-N |
| PubChem CID | 64805 |
| ChEMBL | CHEMBL3183457 |
| EC No. | 214-881-6 |
| DTXSID | DTXSID7043908 |
| Lokaler Name | α-Methyl-1,3-benzodioxol-5-propionaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 205 |
| Duftstoffe | Fragrance substance (alpha-Methyl-1,3-benzodioxole-5-propionaldehyde (MMDHCA)) -> IFRA amendment 49Fragrance Ingredient (alpha-Methyl-1,3-benzodioxole-5-propionaldehyde) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 1.158-1.1691.162 g/mL at 25 °C(lit.) |
| Löslichkeit | Insolublesoluble (in ethanol)soluble in Chloroform, Ethyl Acetate934mg/L at 20℃ |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Siedepunkt | 134-135 °C282 °C(lit.) |
| Brechungsindex | 1.529-1.539n20/D 1.5335(lit.) |
| Physical Description | LiquidCBIPale yellow to yellow clear oily liquid / Floral, fresh, melon, ozone, marine aroma |
| Dampfdruck | 0.092Pa at 23℃ |
| FEMA | 4599 | 3-(3,4-METHYLENEDIOXYPHENYL)-2-METHYLPROPANAL |
| Flammpunkt | >230 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Light orange to Yellow to Green |
| Geruch | at 100.00 %. watery fresh green ozone cyclamen hay |
| Geruchsart | floral |
| JECFA Number | 2212 |
| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONING - MISCELLANEOUSPERFUMINGFRAGRANCE |
| InChIKey | BOPPSUHPZARXTH-UHFFFAOYSA-N |
| LogP (Verteilungskoeffizient) | 2.4 at 25℃ |
| CAS Datenbank | 1205-17-0(CAS DataBase Reference) |
| NIST chemische Informationen | 1,3-Benzodioxole-5-propanal, «alpha»-methyl-(1205-17-0) |
| EPA chemische Informationen | 1,3-Benzodioxole-5-propanal, .alpha.-methyl- (1205-17-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)H317 (42.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: 1,3-Benzodioxole-5-propanal, .alpha.-methyl-1,3-Benzodioxole-5-propanal, .alpha.-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzodioxole-5-propanal, .alpha.-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 09-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/20444Helional: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Sens. 1 (42.3%)Skin sensitization - Category 1BSkin Sens. 1B |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29124990 |
| RTECS-Nr. | DF4922185 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
2-Methyl-3-(3,4-methylenedioxyphenyl)-propanal is an aromatic aldehyde that was used in the investigation of human olfactory receptor 17-40 as an active part of a nanobiosensor.