HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,2-Dimethylpent-4-enal
2,2-dimethylpent-4-enal · 2,2-DIMETHYL-4-PENTENAL · 2，2-Dimethyl-4-penteneal · 4-Pentenal, 2,2-dimethyl- · 2,2-DIMETHYL-4-PENTENAL, TECH., 90% · 2,2-Dimethyl-4-pentenal,97%,stabilized · 2,2-Dimethyl-4-pentenal, stabilized, 97% · 2,2-DiMethyl-4-pentenal, stabilized, 97% 5ML
Identifikatoren & physikalische Daten
| CAS No. | 5497-67-6 |
|---|---|
| Summenformel | C7H12O |
| Durchschnittliche Molmasse | 112,17 g/mol |
| Monoisotopische Masse | 112,088815 g/mol |
| SMILES | C=CCC(C)(C)C=O |
| InChIKey | DXSDIWHOOOBQTJ-UHFFFAOYSA-N |
| PubChem CID | 79636 |
| EC No. | 226-834-7 |
| DTXSID | DTXSID30203502 |
| Lokaler Name | 2,2-Dimethylpent-4-enal |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 92,6 |
| Stoffklassen | Other Classes -> Aldehydes |
| Physical Description | Colorless liquid[Acros Organics MSDS] |
| Schmelzpunkt | -53.35°C (estimate) |
| Siedepunkt | 124-125 °C (lit.) |
| Dichte | 0.825 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.4203(lit.) |
| Flammpunkt | 65 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| InChI | InChI=1S/C7H12O/c1-4-5-7(2,3)6-8/h4,6H,1,5H2,2-3H3 |
| InChIKey | DXSDIWHOOOBQTJ-UHFFFAOYSA-N |
| SMILES | C(=O)C(C)(C)CC=C |
| NIST chemische Informationen | 4-Pentenal, 2,2-dimethyl-(5497-67-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | Stabilized with 0.1% hydroquinone (CAS# 123-31-9)An irritant[Acros Organics MSDS] |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Wassergefährdungsklasse (WGK) | - |
| UN-Transportnummer | UN 1989 3/PG 3 |
| Zollcode | 29121990 |
| R-Sätze (R) | 11-36/37/38-22 |
| Gefahrensymbole | F,Xi,Xn |
| Sicherheitshinweise (S) | 16-26-33-36 |
| Gefahrenklasse | 3.1Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2,2-Dimethyl-4-pentenal has been used:as electrophile in the synthesis of rearranged bicyclo[6.3.0]undecane isoprenoid skeleton of cyclooctenoid sesquiterpene dactylol and 3a-epi-dactylolin the preparation of imine ligand via condensation with primary amine