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1-Methylcyclohexa-1,4-dien
2,5-DIHYDROTOLUENE · 1-methylcyclohexa-1,4-diene · 1,4-Cyclohexadiene, 1-methyl- · NSC 74127 · 2-methyl-1,4-cyclohexadiene · 1-Methyl-1,4-cyclohexadiene · 1-methyl-1,4-cyclohexyldiene · 1-Methyl-1,4-cyclohexadiene>1-METHYL-1 4-CYCLOHEXADIENE 96+%
Identifikatoren & physikalische Daten
| CAS No. | 4313-57-9 |
|---|---|
| Summenformel | C7H10 |
| Durchschnittliche Molmasse | 94,15 g/mol |
| Monoisotopische Masse | 94,07825032 g/mol |
| SMILES | CC1=CCC=CC1 |
| InChIKey | QDXQAOGNBCOEQX-UHFFFAOYSA-N |
| PubChem CID | 78006 |
| ChEBI | CHEBI:229349 |
| EC No. | 224-329-6 |
| DTXSID | DTXSID90195712 |
| Lokaler Name | 1-Methylcyclohexa-1,4-dien |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 107 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | <-70℃ |
| Siedepunkt | 114-115 °C(lit.) |
| Dichte | 0.838 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.471(lit.) |
| Flammpunkt | 51 °F |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| BRN | 1560168 |
| InChI | InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,6H,4-5H2,1H3 |
| InChIKey | QDXQAOGNBCOEQX-UHFFFAOYSA-N |
| SMILES | C1(C)CC=CCC=1 |
| LogP (Verteilungskoeffizient) | 2.970 (est) |
| CAS Datenbank | 4313-57-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 1,4-Cyclohexadiene, 1-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | UN 3295 3/PG 2 |
| Zollcode | 2902190000 |
| R-Sätze (R) | 11-36 |
| Gefahrensymbole | F,Xi |
| Sicherheitshinweise (S) | 16-26 |
| Gefahrenklasse | 3 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
1-Methyl-1,4-cyclohexadiene is reported to be produced by some Nodulosporium species along with other volatile organic compounds (VOCs).