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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!
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Bulk Quote| IUPAC name | oxolane |
| canonical smiles | C1CCOC1 |
| inchi | InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2 |
| inchi key | WYURNTSHIVDZCO-UHFFFAOYSA-N |
| molecular formula | C4H8O |
| synonyms | |
| Compound Description |
| Molecular Weight: | 72.11 g/mol |
| XLogP3: | 0.5 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptor Count: | 1 |
| Rotatable Bond Count: | 0 |
| Exact Mass: | 72.057514874 g/mol |
| Monoisotopic Mass: | 72.057514874 g/mol |
| Topological Polar Surface Area: | 9.2 Ų |
| Heavy Atom Count: | 5 |
| Formal Charge: | 0 |
| Complexity: | 22.8 |
| Isotope Atom Count: | 0 |
| Defined Atom Stereocenter Count: | 0 |
| Undefined Atom Stereocenter Count: | 0 |
| Defined Bond Stereocenter Count: | 0 |
| Undefined Bond Stereocenter Count: | 0 |
| Covalently-Bonded Unit Count: | 1 |
| Compound Is Canonicalized: | Yes |
| hazard signal | Danger |
| hazard classes and categories | |
| precautionary statement codes | P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P330, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 |
| hazard statements | |
| hazards summary | Anesthesia produced in animal inhalation studies. Toxic hepatitis has been reported in exposed workers. TLV Basis is irritation, CNS impairment, and kidney damage. A skin, eye, and respiratory tract irritant. Inhalation of high concentrations can cause CNS depression. Tetrahydrofuran (THF) is a very hazardous substance due primarily to its flammable and explosive properties. Toxicity is also of concern and must be considered in the safe handling and storage of THF. Irritation from dermal contact with THF warrants the wearing of gloves and safety glasses for protection during the routine handling of this substance. Toxic, as well as flammable, concentrations of THF in air can be avoided by compliance with the TLV of 200 ppm. When this TLV is exceeded, respiratory protection is needed. Protection above the TLV of 50 ppm up to 500 ppm can be provided by a respirator mask using an approved organic vapor cartridge. For emergency situations, such as fires or involving exposure above 500 ppm, a self-contained breathing apparatus would be needed. THF is highly volatile with a low flash point (1 °F) and flammability limit of 2%. Its heavier-than-air vapors can travel at low profile for considerable distances and flash back to the point of origin. Further, unstabilized THF forms peroxides upon exposure to air or light, which, if allowed to accumulate above 1% become thermally explosive. THF also reacts explosively with lithium-aluminum alloys. In consideration of the above, THF should be contained in tightly sealed dark glass bottles or steel drums affixed with the DOT-required label, "Flammable Liquid". Should THF leak from containment vessels, its faint, fruity smell, is detectable at 50 ppm and may serve as a warning. Containers should be stored in cool, dark, well-ventilated areas, away from ignition sources and oxidizing materials. Should a THF fire occur, it may be combated with dry chemical or CO2 extinguishers. Water may be ineffective in firefighting. However, if a leak or spill has not ignited, it may be flushed with water for cooling and diluting if conditions of ignition threaten. Knock down vapors with water spray. Spills or leaks should be absorbed with paper or dissolved in petroleum ether or alcohol (of a higher molecular weight than butyl alcohol). then collected and removed for outdoor evaporation or safe incineration. |
