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Triethylorthoformiat
TRIETHOXYMETHANE · TEOF · ETHYL ORTHOFORMATE · ORTHOFORMIC ACID TRIETHYL ESTER · orthoformate · ETHONE · iethyl orthoforMate · AETHON
Identifikatoren & physikalische Daten
| CAS No. | 108055-42-1 |
|---|---|
| Summenformel | C7H16O3 |
| Durchschnittliche Molmasse | 148,2 g/mol |
| Monoisotopische Masse | 148,10994437 g/mol |
| SMILES | CCOC(OCC)OCC |
| InChIKey | GKASDNZWUGIAMG-UHFFFAOYSA-N |
| PubChem CID | 31214 |
| ChEMBL | CHEMBL1476236 |
| EC No. | 204-550-4 |
| DTXSID | DTXSID8041957 |
| Lokaler Name | Triethylorthoformiat |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 27,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 51,6 |
| Stoffklassen | Other Classes -> Ethers, OtherFlammable agents - 3rd degree |
| SpringerMaterials Properties | Boiling point |
| Aromastoffe | EU Flavoring substances |
| Dampfdruck | 3.86 [mmHg]2.9 mm Hg ( 20 °C) |
| Physical Description | Ethyl orthoformate appears as a clear, colorless liquid with a pungent odor. Less dense than water. Vapors heavier than air. May irritate skin and eyes. Used to make other chemicals.Liquid with a sweetish odor like pine needles[Merck Index] Clear colorless liquid with a pungent odor[CAMEO] |
| Schmelzpunkt | -76 °C (lit.) |
| Siedepunkt | 146 °C (lit.) |
| Dichte | 0.891 g/mL at 25 °C (lit.) |
| Dampfdichte | 5.11 (vs air) |
| Brechungsindex | n20/D 1.391(lit.) |
| Flammpunkt | 86 °F |
| Lagerbedingungen | Flammables area |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)1.35 g/L |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Merck | 14,6884 |
| BRN | 605384 |
| Stabilität | Moisture Sensitive |
| InChI | 1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3 |
| InChIKey | GKASDNZWUGIAMG-UHFFFAOYSA-N |
| SMILES | CCOC(OCC)OCC |
| LogP (Verteilungskoeffizient) | 1.2 at 20℃ |
| CAS Datenbank | 122-51-0(CAS DataBase Reference) |
| NIST chemische Informationen | Ethyl orthoformate(122-51-0) |
| EPA chemische Informationen | Ethyl orthoformate (122-51-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.3% (7 of 540) of reports.WarningH226 (98.7%): Flammable liquid and vapor [Warning 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 540 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Ethane, 1,1',1''-[methylidynetris(oxy)]tris-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Ethane, 1,1',1''-[methylidynetris(oxy)]tris- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethane, 1,1',1''-[methylidynetris(oxy)]tris- 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)Status: Active Update: 27-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15861Triethyl orthoformate: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. |
| Gesundheitsgefahren | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:· May cause toxic effects if inhaled or absorbed through skin. |
| Gefahrenübersicht | A mild skin and moderate eye irritantDermal LD50 (rabbit) = 20 mL/kg[RTECS] Not a skin sensitizer in guinea pig maximization studyNo sensitization reactions observed in maximization test of 26 volunteers at 4% in petrolatum[IUCLID] Safe when used as a flavoring agent in food[EFSA] A mild skin irritant[Sigma-Aldrich MSDS] See 1,1-Dimethoxyethane. |
| DOT-Nummer und Handbuch | 2524 129 |
| Reaktive Gruppe | Ethers |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | ETHYL ORTHOFORMATE is an ether. Ethers can act as bases. They form salts with strong acids and addition complexes with Lewis acids. The complex between diethyl ether and boron trifluoride is an example. Ethers may react violently with strong oxidizing agents. In other reactions, which typically involve the breaking of the carbon-oxygen bond, ethers are relatively inert. |
| DOT Hazard Classification | Ethyl orthoformateUN2524Class 3 Flammable and combustible liquid (49 eCFR § 173.120)PG III: the degree of danger presented by the material is minor |
| Air and Water Reactions | Highly flammable. Slightly soluble in water. |
| Hazard Classes and Categories | Flam. Liq. 3 (98.7%)Flammable liquids - Category 3Flammable agents - 3rd degree |
| Brandbekämpfung | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Freisetungsmaßnahmen | · CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. |
| Erste Hilfe | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:General First Aid: |
| Expositionsschutz und Persönliche Schutzausrüstung | · Wear positive pressure self-contained breathing apparatus (SCBA). |
| Freisetung ohne Brand | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]:Immediate precautionary measure |
| Personal Protective Equipment (PPE) | Excerpt from ERG Guide 129 [Flammable Liquids (Water-Miscible / Noxious)]: |
| Emergency Response Planning Guidelines | CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. |
| Toxicity Data | LCLo (rat) = 4,000 ppm/8hr |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2524 |
| Zollcode | 29159080 |
| RTECS-Nr. | RM6475000 |
| R-Sätze (R) | 10-36-36/38 |
| Toxizität | LD50 orally in rats: 7.06 g/kg (Smyth) |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 16-26-37/39-36-45-36/39 |
| Gefahrenklasse | 3Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Triethyl orthoformate is used in Bodroux-Chichibabin aldehyde synthesis to prepare an aldehyde with one carbon higher by reacting with Grignard reagent. It is also used in the electrophilic formylation of activated aromatic species such as phenol.