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1,3-Dioxan
1,3-Dioxacyclohexane · M-DIOXANE · 1,3-Dioxane · meta-dioxane · 1,3-Dioxane>1,3-DIOXANE(M-) · dihydro-m-dioxi · 1,3-Dioxane,97% · 1,3-Dioxane 97%
Identifikatoren & physikalische Daten
| CAS No. | 505-22-6 |
|---|---|
| Summenformel | C4H8O2 |
| Durchschnittliche Molmasse | 88,11 g/mol |
| Monoisotopische Masse | 88,0524295 g/mol |
| SMILES | C1COCOC1 |
| InChIKey | VDFVNEFVBPFDSB-UHFFFAOYSA-N |
| PubChem CID | 10450 |
| ChEMBL | CHEMBL5291273 |
| ChEBI | CHEBI:46924 |
| EC No. | 208-005-1 |
| DTXSID | DTXSID3025174 |
| Lokaler Name | 1,3-Dioxan |
Chemische & physikalische Eigenschaften
| XLogP | -0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 32,5 |
| Polymers | Plastics & Rubber -> Other Monomers |
| SpringerMaterials Properties | Schoenflies notation |
| Dichte | 1.0342 at 68 °F (NTP, 1992) - Denser than waterwill sink1.0342 AT 20 °C/4 °C1.032 g/mL at 25 °C (lit.) |
| Löslichkeit | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)SOL IN WATER, ALC, ETHANOL, ACETONE, BENZENEFully miscible in water. |
| Flammpunkt | 35.6 °F (NTP, 1992)2 °C59 °F |
| Siedepunkt | 221 °F at 755 mmHg (NTP, 1992)105 °C AT 755 MM HG105-106 °C (lit.) |
| Schmelzpunkt | -44 °F (NTP, 1992)-42 °C-45 °C (lit.) |
| Dampfdruck | 38.5 [mmHg]Vapor pressure= 39 mm Hg at 25 °C (estimated) |
| Brechungsindex | INDEX OF REFRACTION: 1.4165 AT 20 °C/Dn20/D 1.418(lit.) |
| Physical Description | 1,3-dioxane is a clear colorless liquid. (NTP, 1992)[CAMEO] Miscible in water[HSDB] |
| Other Experimental Properties | ... Alcohol like odor ... /Dioxane/ |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Spezifische Wärmekapazität | Cp(liquid): 1.63 J/(g·K), at 25℃ |
| BRN | 102532 |
| Henry-Konstante | 1.8×100 mol/(m3Pa) at 25℃, O'Farrell and Waghorne (2010) |
| Stabilität | Stable. Flammable. Incompatible with oxidizing agents. May form explosive peroxides in contact with the air - store under inert gas. |
| InChI | InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2 |
| InChIKey | VDFVNEFVBPFDSB-UHFFFAOYSA-N |
| SMILES | O1CCCOC1 |
| EPA chemische Informationen | 1,3-Dioxane (505-22-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | This chemical is flammable. (NTP, 1992) |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits acrid smoke and fumes. (NTP, 1992) |
| Gefahrenübersicht | See health effects of 1,4-Dioxane. [HSDB] The reported occupational toxicity of dioxane refers to the compound 1,4-Dioxane. [Sullivan, p. 1195-6] An irritant[MSDSonline] See 1,4-Dioxane. |
| FDA-Anforderungen | Dioxane is an indirect food additive for use only as a component of adhesives. /Dioxane/ |
| Reaktive Gruppe | Ethers |
| Special Reports | NIOSHCriteria Document: Dioxane p.20-1 (1976) DHEW Pub. NIOSH 77-226 |
| FIFRA-Anforderungen | Dioxane is exempted from the requirement of a tolerance when used in accordance with good agricultural practice as inert (or occasionally active) ingredients in pesticide formulations applied to growing crops only. /Dioxane/ |
| Reactivity Alerts | Highly Flammable |
| OSHA Standards | Permissible Exposure Limit: Table Z-1 8-hr Time-Weighted Avg: 100 ppm (360 mg/cu m). Skin Designation. /Dioxane/Vacated 1989 OSHA PEL TWA 25 ppm (90 mg/cu m), skin designation, is still enforced in some states. /Dioxane/ |
| Reactivity Profile | 1,3-DIOXANE is sensitive to heat. This chemical can react with oxidizers. (NTP, 1992) |
Anwendungen & Verwendung
Verwenden
1,3-Dioxane has been employed as solvent in the synthesis of 8- and 9-membered dioxazocines and dioxazonines.
Herstellung & Synthese
synthetische
1,3-dioxane is prepared by the reaction of formaldehyde and 1,3-propanediol in the presence of Brnsted or Lewis acid catalysts.