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2,4-Dimethylpenta-1,3-dien
1,3-Pentadiene, 2,4-dimethyl- · NSC 123451 · 1,1,3-Trimethylbutadiene · 2,4-Dimethyl-2,4-pentadiene · 2,4-DIMETHYL-1,3-PENTADIENE · 2,4-dimethylpenta-2,4-diene · 2,4-dimethyl-penta-1,3-diene · 1,3-pentadiene,2,4-dimethyl-
Identifikatoren & physikalische Daten
| CAS No. | 1000-86-8 |
|---|---|
| Summenformel | C7H12 |
| Durchschnittliche Molmasse | 96,17 g/mol |
| Monoisotopische Masse | 96,09390038 g/mol |
| SMILES | C=C(C)C=C(C)C |
| InChIKey | CMSUNVGIWAFNBG-UHFFFAOYSA-N |
| PubChem CID | 66080 |
| EC No. | 213-677-4 |
| DTXSID | DTXSID60142854 |
| Lokaler Name | 2,4-Dimethylpenta-1,3-dien |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 92,6 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | -114℃ |
| Siedepunkt | 94 °C (lit.) |
| Dichte | 0.744 g/mL at 25 °C (lit.) |
| Dampfdruck | 67 mm Hg ( 37.7 °C) |
| Brechungsindex | n20/D 1.441(lit.) |
| Flammpunkt | 50 °F |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| InChI | InChI=1S/C7H12/c1-6(2)5-7(3)4/h5H,1H2,2-4H3 |
| InChIKey | CMSUNVGIWAFNBG-UHFFFAOYSA-N |
| SMILES | C=C(C)/C=C(\C)/C |
| CAS Datenbank | 1000-86-8 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3295 3/PG 2 |
| Zollcode | 29012900 |
| R-Sätze (R) | 11-36/37/38 |
| Gefahrensymbole | F,Xi |
| Sicherheitshinweise (S) | 16-26-36/37/39 |
| Gefahrenklasse | 3.1Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2,4-Dimethyl-1,3-pentadiene has been used to study the structure of its various conformational isomers and their vibrational spectra.