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2,4-Dimethylbenzaldehyd
Benzaldehyde, 2,4-dimethyl- · 2,4-dimethyl-benzaldehyd · DiMethylbenzaldehyde · FEMA 3427 · 2,4-Dimethylbenzenecarboxaldehyde · 2,4-xylylaldehyde · m-Xylyl-4-aldehyde · 2,4-Dimethylbenzalde
Identifikatoren & physikalische Daten
| CAS No. | 15764-16-6 |
|---|---|
| Summenformel | C9H10O |
| Durchschnittliche Molmasse | 134,17 g/mol |
| Monoisotopische Masse | 134,07316494 g/mol |
| SMILES | Cc1ccc(C=O)c(C)c1 |
| InChIKey | GISVICWQYMUPJF-UHFFFAOYSA-N |
| PubChem CID | 61814 |
| ChEBI | CHEBI:178624 |
| EC No. | 239-856-7 |
| DTXSID | DTXSID60166297 |
| Lokaler Name | 2,4-Dimethylbenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 120 |
| Stoffklassen | Other Classes -> Benzaldehydes |
| SpringerMaterials Properties | Boiling point |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.992-1.0170.962 g/mL at 25 °C (lit.) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | insoluble in watersoluble in organic solvents, oilsmiscible at room temperature (in ethanol)Insoluble in water, soluble in alcohol and oils. |
| Siedepunkt | 102.50 to 103.00 °C. @ 14.00 mm Hg215 °C102-103 °C/14 mmHg (lit.) |
| Schmelzpunkt | -9 °C-9 °C (lit.) |
| Brechungsindex | 1.548-1.552n20/D 1.549(lit.) |
| Physical Description | Colorless or light yellow liquid[MSDSonline]colourless liquid with a mild, sweet, bitter-almond odour |
| Dampfdruck | 1 hPa (20 °C) |
| FEMA | 3427 | 2,4-DIMETHYLBENZALDEHYDE |
| Flammpunkt | 192 °F |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Wichte | 0.962 |
| Geruch | at 100.00 %. naphthyl cherry almond spice vanilla |
| Geruchsart | naphthyl |
| Biologische Quelle | synthetic |
| JECFA Number | 869 |
| InChI | 1S/C9H10O/c1-7-3-4-9(6-10)8(2)5-7/h3-6H,1-2H3 |
| InChIKey | GISVICWQYMUPJF-UHFFFAOYSA-N |
| SMILES | Cc1ccc(C=O)c(C)c1 |
| LogP (Verteilungskoeffizient) | 2.56 |
| CAS Datenbank | 15764-16-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzaldehyde, 2,4-dimethyl-(15764-16-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 6.2% (89 of 1440) of reports.WarningH302 (89.4%): 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 1440 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Benzaldehyde, 2,4-dimethyl-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzaldehyde, 2,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | An irritant[MSDSonline] See ALDEHYDES. |
| Hazard Classes and Categories | Acute Tox. 4 (89.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29122900 |
| R-Sätze (R) | 36/37/38-52/53-41-37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-39-26 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Occurrence
Reported found in cognac, brandy, black tea, grape, juniper berry and clam
Herstellung & Synthese
synthetische
By passing HCl into a mixture of o-xylole, aluminum chloride, sodium cyanide at 100°C.