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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 | dimethyl sulfate |
| canonical smiles | COS(=O)(=O)OC |
| inchi | InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3 |
| inchi key | VAYGXNSJCAHWJZ-UHFFFAOYSA-N |
| molecular formula | C2H6O4S |
| synonyms | |
| Compound Description |
| Molecular Weight: | 126.13 g/mol |
| XLogP3: | -0.3 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptor Count: | 4 |
| Rotatable Bond Count: | 2 |
| Exact Mass: | 125.99867984 g/mol |
| Monoisotopic Mass: | 125.99867984 g/mol |
| Topological Polar Surface Area: | 61 Ų |
| Heavy Atom Count: | 7 |
| Formal Charge: | 0 |
| Complexity: | 107 |
| 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, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, and P501 |
| hazard statements | |
| hazards summary | Exposure to dimethyl sulfate is primarily occupational. Acute (short-term) exposure of humans to the vapors of dimethyl sulfate may cause severe inflammation and necrosis of the eyes, mouth, and respiratory tract. Acute oral or inhalation exposure to dimethyl sulfate primarily damages the lungs but also injures the liver, kidneys, heart, and central nervous system (CNS), while dermal contact with dimethyl sulfate may produce severe blistering in humans. Human data on the carcinogenic effects of dimethyl sulfate are inadequate. Tumors have been observed in the nasal passages, lungs, and thorax of animals exposed to dimethyl sulfate by inhalation. EPA has classified dimethyl sulfate as a Group B2, probable human carcinogen.Dimethyl sulfate causes blistering and ulceration of the skin. In cases of industrial poisoning, workers experienced burning eyes first and then respiratory symptoms, including irritation of the nose and throat, chest pain, cough, and dyspnea. Persistent abnormalities in liver function following exposure have been reported. Death is due to circulatory failure. In the presence of water vapor, dimethyl sulfate readily hydrolyzes into methanol and sulfuric acid. Causes second or third degree burns after short skin exposure. In a textile plant using dimethyl sulfate to produce surfactants, air levels were low but workers in one building had high blood levels secondary to skin absorption. Dimethyl sulfate causes no known injury to the liver in experimental animals or humans. A corrosive substance that can cause pulmonary edema. Can cause effects on the liver, kidneys, and CNS. |
