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1,3,5-Trioxan
Trioxane · TRIOXYMETHYLENE · S-TRIOXANE · 1,3,5-Trioxan · Trioxan · Paraformal · SYM-TRIOXANE · Trioxymethylen
Identifikatoren & physikalische Daten
| CAS No. | 110-88-3 |
|---|---|
| Summenformel | C3H6O3 |
| Durchschnittliche Molmasse | 90,08 g/mol |
| Monoisotopische Masse | 90,03169405 g/mol |
| SMILES | C1OCOCO1 |
| InChIKey | BGJSXRVXTHVRSN-UHFFFAOYSA-N |
| PubChem CID | 8081 |
| ChEMBL | CHEMBL1495792 |
| ChEBI | CHEBI:38043 |
| EC No. | 203-812-5 |
| DTXSID | DTXSID4021925 |
| Lokaler Name | 1,3,5-Trioxan |
Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 27,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 21,5 |
| Stoffklassen | Other Classes -> Aldehydes |
| SpringerMaterials Properties | Dunham energy parameter |
| Pestizide | FungicidesActive substance -> EU Pesticides database: Not approved |
| Geruch | CHARACTERISTIC CHLOROFORM-LIKE ODOR |
| Dichte | 1.17 at 149 °F (NTP, 1992) - Denser than waterwill sink1.17 @ 65 °C |
| Color/Form | CRYSTALLINE SOLIDRHOMBIC NEEDLES FROM ETHERWHITE |
| Löslichkeit | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)SOL IN WATER: 17.2 G/100 ML @ 18 °C, 21.2 @ 25 °CEASILY SOL IN ALC, KETONES, ETHER, ACETONE, ORG SOLVENTS, CHLORINATED & AROMATIC HYDROCARBONSSLIGHTLY SOL IN PENTANE, PETROLEUM ETHER, LOWER PARAFFINSSOL IN BENZENE, CARBON TETRACHLORIDE, CHLOROFORM, CARBON DISULFIDE221g/l221 g/L (25 ºC) |
| Flammpunkt | 113 °F (NTP, 1992)45 °C |
| Siedepunkt | 238.1 °F at 759 mmHg (NTP, 1992)114.5 °C @ 759 MM HG112-115 °C |
| Schmelzpunkt | 147 °F (NTP, 1992)64 °C59-62 °C(lit.) |
| Dampfdichte | 3.1 (NTP, 1992) - Heavier than airwill sink (Relative to Air) |
| Dampfdruck | 13 mmHg at 77 °F (NTP, 1992)13.0 [mmHg]7.5 hPa (20 °C) |
| Brechungsindex | 1.4168 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Crystals or Crystalline Flakes |
| Farbe | Colorless to white |
| Explosionsgrenze | 3.6-28.7%(V) |
| Spezifische Wärmekapazität | Cp(crystal): 1.24 J/(g·K), at 25℃ |
| Merck | 14,9734 |
| BRN | 102769 |
| Henry-Konstante | 9.6×10-1 mol/(m3Pa) at 25℃, Yaws (2003) |
| InChI | 1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2 |
| InChIKey | BGJSXRVXTHVRSN-UHFFFAOYSA-N |
| SMILES | C1OCOCO1 |
| CAS Datenbank | 110-88-3(CAS DataBase Reference) |
| NIST chemische Informationen | 1,3,5-Trioxane(110-88-3) |
| EPA chemische Informationen | 1,3,5-Trioxane (110-88-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH228: Flammable solid [Danger Flammable solids]P203, P210, P240, P241, P261, P271, P280, P304+P340, P318, P319, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)H228 (100%): Flammable solid [Danger Flammable solids] |
|---|---|
| Regulatorische Informationen | Chemical: 1,3,5-TrioxaneRegulation (EC) No 1935/2004 (amended)1,3,5-Trioxane is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Trioxane are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)2002/2076Status: Active Update: 13-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/152441,3,5-Trioxane: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - 1,3,5-Trioxane: Human health tier II assessment |
| DOT-Kennzeichnung | Flammable Solid |
| Brandgefahren | This chemical is combustible. (NTP, 1992) |
| Brandpotenzial | MODERATE FIRE RISK.VOLATILE SOLID THAT GIVES OFF FLAMMABLE VAPOR OF FORMALDEHYDE WHEN HEATED. /PARAFORMALDEHYDE/ |
| Gesundheitsgefahren | ACUTE/CHRONIC HAZARDS: This compound is toxic and flammable. It can emit toxic fumes on contact with acid or acid fumes. (NTP, 1992) |
| Gefahrenübersicht | Cyclic trimer of formaldehyde[Merck Index] A respiratory tract irritant[eChemPortal: ESIS] Slowly releases formaldehyde at body temperatureHas same toxicity as formaldehyde after absorption into the body[HSDB] A respiratory tract irritantA severe skin and eye irritant[MSDSonline] See Formaldehyde. |
| Reaktive Gruppe | Ethers |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | 1,3,5-TRIOXANE is stable under normal laboratory conditions but is unstable in the presence of acids, which initiate polymerization. Sublimes readily. May react with oxidizing matter (NTP, 1992). A stable polymeric product of formaldehyde that in the presence of strong aqueous acids will depolymerize (reforming the parent formaldehyde). Inert to strong alkalis. Readily converted in non aqueous solutions to the monomeric formaldehyde by small concentrations of acid---the rate of conversion is directly proportional to the concentration of the acid. |
| Air and Water Reactions | Highly flammable. Water soluble. |
| NFPA Hazard Classification | 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury.2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.0 - Materials that in themselves are normally stable, even under fire conditions. |
| Brandbekämpfung | Fires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Brandbekämpfungsverfahren | USE WATER SPRAY, CARBON DIOXIDE, DRY CHEM OR "ALCOHOL" FOAM. WATER SPRAY MAY BE USED TO FLUSH SPILLS AWAY FROM EXPOSURES. /PARAFORMALDEHYDE/WATER SPRAY MAY BE USED TO EXTINGUISH THE FIRE BECAUSE MATERIAL CAN BE COOLED BELOW ITS FLASH POINT.ALCOHOL FOAM. |
| Lagerbedingungen | STORE IN COOL, DRY, WELL-VENTILATED PLACE AWAY FROM SOURCES OF HEAT & IGNITION. SEPARATE FROM COMBUSTIBLES, & ACIDIC, ALKALINE, & OXIDIZING MATERIALS. /PARAFORMALDEHYDE/ |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Entsorgungsverfahren | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.Incineration & landfill: Mix with a combustible solvent and incinerate using an afterburner or bury in an approved landfill. |
| Isolation and Evacuation | Excerpt from ERG Guide 133 [Flammable Solids]: |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| Human Toxicity Excerpts | MALE & FEMALE 4TH YR DENTAL STUDENTS SHOWED HIGH INCIDENCE OF LATENT ALLERGIES, 65% COMPARED TO 13.6% FOR SAME STUDENTS @ END OF 2ND YR. ATTRIBUTED TO EXPOSURE TO ALLERGY-PRODUCING SUBSTANCES SUCH AS TRIOXYMETHYLENE.SAME INTERNAL TOXICITY AS FORMALDEHYDE, WHICH IT SLOWLY RELEASES AT BODY TEMP.SEE FORMALDEHYDE. SYMPTOMATOLOGY: A. INHALATION. 1. IRRITATION OF MUCOUS MEMBRANES, ESP OF EYES, NOSE & UPPER RESP TRACT. 2. WITH HIGHER CONCN, COUGH, DYSPHAGIA, BRONCHITIS, PNEUMONIA, EDEMA OR SPASM OF LARYNX. /FORMALDEHYDE/SEE FORMALDEHYDE. SYMPTOMATOLOGY: B. INGESTION. 1. ...PAIN IN MOUTH, PHARYNX & STOMACH. 2. NAUSEA, VOMITING, HEMATEMESIS, ABDOMINAL PAIN, &...DIARRHEA (WHICH MAY BE BLOODY). 3. ...SHOCK. 4. DIFFICULT MICTURITION, HEMATURIA, ANURIA. 5. VERTIGO, CONVULSIONS...COMA. 6. DEATH DUE TO RESP FAILURE. /FORMALDEHYDE/SEE FORMALDEHYDE. SYMPTOMATOLOGY: SKIN CONTACT. 1. IRRITATION & HARDENING OF SKIN. STRONG SOLN PRODUCE COAGULATION NECROSIS. 2. DERMATITIS & HYPERSENSITIVITY FROM PROLONGED EXPOSURE. /FORMALDEHYDE/ |
| Probable Routes of Human Exposure | PARAFORM INTRODUCES BOTH A DUST & A FORMALDEHYDE GAS EXPOSURE... /PARAFORM/ |
| Antidote and Emergency Treatment | SEE FORMALDEHYDE. 1. ADMIN BY MOUTH 1 OR MORE OF FOLLOWING: WATER, MILK, 0.2% AMMONIA WATER...AMMONIUM ACETATE (3 TEASPOONSFUL IN WATER), EGG WHITES, ACTIVATED CHARCOAL. AMMONIUM SALTS ARE PROBABLY BEST BECAUSE THEY TRANSFORM FORMALDEHYDE INTO METHENAMINE... /FORMALDEHYDE/SEE FORMALDEHYDE. 2. DEMULCENTS: MILK, EGGS, ALUMINUM HYDROXIDE GELS. 3. MORPHINE FOR CONTROL OF PAIN... 4. COMBAT SHOCK BY IV ADMIN OF ISOTONIC SALINE, PLASMA, OR WHOLE BLOOD... 5. TO CORRECT ACIDOSIS, GIVE SODIUM BICARBONATE OR M/6 SODIUM LACTATE SOLN IV... 6. ARTIFICIAL RESP, IF INDICATED... /FORMALDEHYDE/SEE FORMALDEHYDE. 7. PENICILLIN OR OTHER ANTIBIOTIC IF INFECTION APPEARS... 8. WASH AFFECTED SKIN WITH LARGE QUANTITIES OF SOAP & WATER. LAB. URINALYSIS MAY REVEAL RED BLOOD CELLS (SOMETIMES GROSS HEMATURIA) & CASTS. /FORMALDEHYDE/ |
| Toxicity Data | LC50 (rat) > 10,463 ppm |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1325 4.1/PG 2 |
| Zollcode | 2912 50 00 |
| RTECS-Nr. | YK0350000 |
| R-Sätze (R) | 11-37-63 |
| Toxizität | LD50 orally in Rabbit: 8190 mg/kg LD50 dermal Rabbit > 3980 mg/kg |
| Gefahrensymbole | F,Xn |
| Sicherheitshinweise (S) | 36/37-46 |
| Gefahrenklasse | 4.1Flam. Sol. 1Repr. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 4.1B - Flammable solid hazardous materials |
| Gefahrstoffdaten | 110-88-3(Hazardous Substances Data) |
| Selbstentzündungstemperatur | 777 °F |
Anwendungen & Verwendung
Verwenden
1,3,5-Trioxane is used in organic chemical processes such as aldol condensation of amides and syntheses of chloromethyl esters or other plastics.