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4-Isopropylphenylacetaldehyd
P-ISOPROPYL PHENYLACETALDEHYDE · CORTEXAL · CUMINICACETALDEHYDE · p-Cymene-7-carboxyaldehyde · ISOPROPYLPHENYLACETALDEHYDE · 4-Isopropylphenylacetaldehyd · 4-isopropylphenylacetaldehyde · 2-(4-propan-2-ylphenyl)ethanal
Identifikatoren & physikalische Daten
| CAS No. | 4395-92-0 |
|---|---|
| Summenformel | C11H14O |
| Durchschnittliche Molmasse | 162,23 g/mol |
| SMILES | CC(C)c1ccc(CC=O)cc1 |
| InChIKey | FSKGFRBHGXIDSA-UHFFFAOYSA-N |
| PubChem CID | 61359 |
| ChEBI | CHEBI:197242 |
| EC No. | 224-522-5 |
| Lokaler Name | 4-Isopropylphenylacetaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 132 |
| Duftstoffe | Fragrance Ingredient (p-Isopropyl phenylacetaldehyde) -> IFRA transparency List |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.965-0.9750.9411 (rough estimate) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | very slightlyInsoluble in watersoluble in oilsMiscible at room temperature (in ethanol) |
| Siedepunkt | 230.00 to 243.00 °C. @ 760.00 mm Hg230-243 °C248.94°C (rough estimate) |
| Brechungsindex | 1.515-1.5251.5400 (estimate) |
| Physical Description | Colourless liquidpowerful, green, refreshingly bark-woody or saplike odour |
| FEMA | 2954 | P-ISOPROPYL PHENYLACETALDEHYDE |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| Aggregatzustand | solid |
| Geruch | at 10.00 % in dipropylene glycol. earthy fern aldehydic cumin green cortex |
| Geruchsart | green |
| JECFA Number | 1024 |
| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
| InChI | 1S/C11H14O/c1-9(2)11-5-3-10(4-6-11)7-8-12/h3-6,8-9H,7H2,1-2H3 |
| InChIKey | FSKGFRBHGXIDSA-UHFFFAOYSA-N |
| SMILES | [H]C(CC1=CC=C(C(C)C)C=C1)=O |
| LogP (Verteilungskoeffizient) | 3.12 |
| EPA chemische Informationen | Benzeneacetaldehyde, 4-(1-methylethyl)- (4395-92-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (234 of 234) of all reports.Not ClassifiedAggregated GHS information provided per 234 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Benzeneacetaldehyde, 4-(1-methylethyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Benzeneacetaldehyde, 4-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Benzeneacetaldehyde, 4-(1-methylethyl)-: Environment tier I assessment |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | WGK 2 |
| TSCA-Inventar-Status | TSCA listed |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
p-Isopropylphenylacetaldehyde has a characteristic bark odor and a citrus, bittersweet, fruity flavor. May be synthesized from cumyl magnesium chloride and ethyl formate or triethyl s-formate followed by acid hydrolysis of the acetal.
Herstellung & Synthese
synthetische
From cumyl magnesium chloride and ethyl formate or triethyl σ-formate followed by acid hydrolysis of the acetal.