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| CAS No.: | 462-95-3 |
|---|---|
| Name: | DIETHOXYMETHANE |
| Article Data: | 75 |
| Molecular Structure: | |
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| Formula: | C5H12 O2 |
| Molecular Weight: | 104.149 |
| Synonyms: | Methane,diethoxy- (6CI,8CI);1,1-Diethoxymethane;3,5-Dioxaheptane;Diethoxymethane;Diethylformal;Ethoxymethyl ethyl ether;Ethylal;Formaldehyde diethyl acetal;NSC 6754; |
| EINECS: | 207-330-6 |
| Density: | 0.841 |
| Melting Point: | -66.5 |
| Boiling Point: | 89 ºC at 760 mmHg |
| Flash Point: | 22°F |
| Solubility: | soluble in water |
| Appearance: | clear liquid |
| Hazard Symbols: |
 
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| Risk Codes: | R11;R36/37/38 |
| Safety: | Moderately toxic by ingestion. Flammable when exposed to heat or flame; can react vigorously with oxidizers. When heated to decomposition it emits acrid smoke and irritating fumes. |
| Transport Information: | UN 2373 3/PG 2 |
| PSA: | 18.46000 |
| LogP: | 1.01690 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
Specification
The Ethylal, with the cas registry number 462-95-3, has the IUPAC name of ethoxymethoxyethane. This is a kind of colorless volatile liquid with an agreeable odor and is soluble in water, acetone, benzene and easily soluble in ethanol and ethyl ether. And it is stable chemically but incompatible with strong oxidizing agents and acids. As to its usage, it is usually used in the manufacture of cosmetics, solvent and painting, organic synthesis, pharmaceutic industry, and also in composing tolylformaldehyde resin, spice. Besides, it belongs to the product categories which are Pharmaceutical Intermediates.
The characteristics of this chemical are as below: (1)ACD/LogP: 0.80; (2)ACD/LogD (pH 5.5): 0.8; (3)ACD/LogD (pH 7.4): 0.8; (4)ACD/BCF (pH 5.5): 2.38; (5)ACD/BCF (pH 7.4): 2.38; (6)ACD/KOC (pH 5.5): 64.69; (7)ACD/KOC (pH 7.4): 64.69; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 18.46; (12)Index of Refraction: 1.38; (13)Molar Refractivity: 28.7 cm3; (14)Molar Volume: 123.7 cm3; (15)Polarizability: 11.37×10-24 cm3; (16)Surface Tension: 22.7 dyne/cm; (17)Density: 0.841 g/cm3; (18)Enthalpy of Vaporization: 31.54 kJ/mol; (19)Boiling Point: 89 °C at 760 mmHg; (20)Vapour Pressure: 67.3 mmHg at 25°C; (21)Exact Mass: 104.08373; (22)MonoIsotopic Mass: 104.08373; (23)Topological Polar Surface Area: 18.5; (24)Heavy Atom Count: 7; (25)Formal Charge: 0; (26)Complexity: 25.3.
Production method of this chemical is as below: formaldehyde could react with ethanol to produce Ethylal, with the following condition: reagent: hydrochloric acid.
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Use of Ethylal: Ethylal could react with propane-1,3-dithiol to produce [1,3]dithiane, with the following condition: reagent: clay KSF, molecular sieve (4 Angstroem); solvent: benzene; reaction time: 8 hours; yield: 90%; other condition: heating.
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When you are using this chemical, please be very cautious, and then take some measures to protect yourself. For one thing, it is irritant. It is irritating to eyes, respiratory system and skin and may cause inflammation to the skin or other mucous membranes. For another thing, it is highly flammable. This chemical may catch fire in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water. Lastly, there are some other dangers. Fire may produce irritating, corrosive and/or toxic gases; Vapors may cause dizziness or suffocation; Runoff from fire control may cause pollution. Therefore, you should take the following instructions. Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. While store it, take precautionary measures against static discharges, and then keep container in a well-ventilated place, away from sources of ignition - No smoking.
Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCOCOCC
(2)InChI: InChI=1S/C5H12O2/c1-3-6-5-7-4-2/h3-5H2,1-2H3
(3)InChIKey: KLKFAASOGCDTDT-UHFFFAOYSA-N
Below are the toxicity information of this chemical:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rabbit | LD50 | oral | 2604mg/kg (2604mg/kg) | Proceedings of the Society for Experimental Biology and Medicine. Vol. 29, Pg. 730, 1932. |