HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Cyclohexan-1,3-diol
CYCLOHEXANE-1,3-DIOL · RESORCITOL · Resoreitol · Heahydroresorcinol · HEXAHYDRORESORCINOL · 1,3-CYCLOHEXANEDIOL · 1,3-Cyclohexanedione99% · 1,3-Cyclohexanediol,c&t
Identifikatoren & physikalische Daten
| CAS No. | 504-01-8 |
|---|---|
| Summenformel | C6H12O2 |
| Durchschnittliche Molmasse | 116,16 g/mol |
| Monoisotopische Masse | 116,08372962 g/mol |
| SMILES | OC1CCCC(O)C1 |
| InChIKey | RLMGYIOTPQVQJR-UHFFFAOYSA-N |
| PubChem CID | 10433 |
| EC No. | 207-979-5 |
| DTXSID | DTXSID60964654 |
| Lokaler Name | Cyclohexan-1,3-diol |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 64,9 |
| Schmelzpunkt | 30 °C |
| Siedepunkt | 246-247 °C(lit.) |
| Dichte | 0.9958 (rough estimate) |
| Brechungsindex | 1.495-1.497 |
| Flammpunkt | >230 °F |
| pKa (Säurekonstante) | 14.70±0.40(Predicted) |
| Aggregatzustand | Viscous Liquid After Melting |
| Farbe | Clear slightly yellow |
| Löslichkeit | Soluble in water. |
| BRN | 2036654 |
| InChI | InChI=1S/C6H12O2/c7-5-2-1-3-6(8)4-5/h5-8H,1-4H2 |
| InChIKey | RLMGYIOTPQVQJR-UHFFFAOYSA-N |
| SMILES | C1(O)CCCC(O)C1 |
| CAS Datenbank | 504-01-8(CAS DataBase Reference) |
| NIST chemische Informationen | 1,3-Cyclohexanediol(504-01-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312 (72.2%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 144 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (72.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29061900 |
| R-Sätze (R) | 36/37 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
1,3-Cyclohexanediol is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.