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2,5-Dimethylbenzaldehyd
Benzaldehyde, 2,5-dimethyl- · 25 DMB · Isoxylaldehyde · TIMTEC-BB SBB008435 · 2,5-DIMETHYLBENZALDEHYDE · 2,5-Dimethylbenzaldehyde-98% · 2,5-Dimethylbenzaldehyde,95% · 2,5-DIMETHYLBENZALDEHYDE 99%
Identifikatoren & physikalische Daten
| CAS No. | 5779-94-2 |
|---|---|
| Summenformel | C9H10O |
| Durchschnittliche Molmasse | 134,17 g/mol |
| Monoisotopische Masse | 134,07316494 g/mol |
| SMILES | Cc1ccc(C)c(C=O)c1 |
| InChIKey | SMUVABOERCFKRW-UHFFFAOYSA-N |
| PubChem CID | 22015 |
| ChEBI | CHEBI:173203 |
| EC No. | 227-303-2 |
| DTXSID | DTXSID0075449 |
| Lokaler Name | 2,5-Dimethylbenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 120 |
| Physical Description | Colorless to yellow liquid[MSDSonline] |
| Kovats Retention Index | 1154115911371208170516801683 |
| Siedepunkt | 104.5-106.5 °C/14 mmHg (lit.) |
| Dichte | 0.95 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.544(lit.) |
| Flammpunkt | 190 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Acetonitrile (Slightly), Chloroform (Slightly)Not miscible in water. |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| Wichte | 0.95 |
| BRN | 1927303 |
| InChI | 1S/C9H10O/c1-7-3-4-8(2)9(5-7)6-10/h3-6H,1-2H3 |
| InChIKey | SMUVABOERCFKRW-UHFFFAOYSA-N |
| SMILES | Cc1ccc(C)c(C=O)c1 |
| LogP (Verteilungskoeffizient) | 2.560 (est) |
| CAS Datenbank | 5779-94-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzaldehyde, 2,5-dimethyl-(5779-94-2) |
| EPA chemische Informationen | 2,5-Dimethylbenzaldehyde (5779-94-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.WarningH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.There is 1 notification provided by 1 of 4 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Benzaldehyde, 2,5-dimethyl- |
| Gefahrenübersicht | May cause irritation[MSDSonline] See ALDEHYDES. |
| Hazard Classes and Categories | Acute Tox. 4 (25%)Skin Irrit. 2 (25%)Eye Irrit. 2A (25%)STOT SE 3 (25%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29122990 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
2,5-Dimethylbenzaldehyde is useful for building asymmetric top molecules. 2,5-DMBA has also been used to analyze vehicle carbon emissions.