HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Phenylmethylpentanal
MEFRANAL · lily pentanal · PHENYLMETHYLPENTANAL · 3-Methyl-5-phenylpentanal · beta-methyl-benzenepentana · Benzenepentanal, β-methyl- · Benzenepentanal, b-methyl- · 3-Methyl-5-phenyl-1-pentanal
Identifikatoren & physikalische Daten
| CAS No. | 55066-49-4 |
|---|---|
| Summenformel | C12H16O |
| Durchschnittliche Molmasse | 176,25 g/mol |
| Monoisotopische Masse | 176,12011513 g/mol |
| SMILES | CC(CC=O)CCc1ccccc1 |
| InChIKey | DFJMIMVMOIFPQG-UHFFFAOYSA-N |
| PubChem CID | 108313 |
| EC No. | 433-900-0 |
| DTXSID | DTXSID9052212 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 136 |
| Kosmetika | MaskingDeodorant |
| Duftstoffe | Fragrance Ingredient (beta-Methyl-benzenepentanal) -> IFRA transparency List |
| Siedepunkt | 142-144 °C(Press: 11 Torr) |
| Dichte | 0.947±0.06 g/cm3(Predicted) |
| Flammpunkt | >93.3° |
| Geruch | at 100.00 %. aldehydic lily green fresh waxy woody |
| Geruchsart | aldehydic |
| Kosmetik-Inhaltsstoffe Funktionen | FRAGRANCEPERFUMING |
| LogP (Verteilungskoeffizient) | 3.238 (est) |
| EPA chemische Informationen | Benzenepentanal, .beta.-methyl- (55066-49-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: Benzenepentanal, .beta.-methyl-PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.REACH registered substance: 3-methyl-5-phenylpentan-1-al (EC: 433-900-0)Benzenepentanal, .beta.-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute Tox. 4 (91.3%)Acute toxicity - category 4Acute Tox. 4 * |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN3082 |
| Gefahrenklasse | 9 |