Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-19 01:33:01 UTC |
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Update Date | 2016-11-09 01:09:16 UTC |
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Accession Number | CHEM004035 |
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Identification |
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Common Name | Dimethyl sulfate |
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Class | Small Molecule |
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Description | The dimethyl ester of sulfuric acid. |
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Contaminant Sources | - Clean Air Act Chemicals
- HPV EPA Chemicals
- IARC Carcinogens Group 2A
- OECD HPV Chemicals
- STOFF IDENT Compounds
- ToxCast & Tox21 Chemicals
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Contaminant Type | Not Available |
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Chemical Structure | |
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Synonyms | Value | Source |
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Dimethoxysulfone | ChEBI | Dimethyl monosulfate | ChEBI | Dimethyl sulphate | ChEBI | DMS | ChEBI | Sulfate dimethylique | ChEBI | Sulfato de dimetilo | ChEBI | Sulfuric acid dimethyl ester | ChEBI | Sulfuric acid, dimethyl ester | ChEBI | Dimethoxysulphone | Generator | Dimethyl monosulfuric acid | Generator | Dimethyl monosulphate | Generator | Dimethyl monosulphuric acid | Generator | Dimethyl sulfuric acid | Generator | Dimethyl sulphuric acid | Generator | Sulfuric acid dimethylique | Generator | Sulphate dimethylique | Generator | Sulphuric acid dimethylique | Generator | Sulphato de dimetilo | Generator | Sulfate dimethyl ester | Generator | Sulphate dimethyl ester | Generator | Sulphuric acid dimethyl ester | Generator | Sulfate, dimethyl ester | Generator | Sulphate, dimethyl ester | Generator | Sulphuric acid, dimethyl ester | Generator | Dimethyl sulfate, 3H-labeled | MeSH | Dimethylsulfate | MeSH |
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Chemical Formula | C2H6O4S |
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Average Molecular Mass | 126.130 g/mol |
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Monoisotopic Mass | 125.999 g/mol |
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CAS Registry Number | 77-78-1 |
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IUPAC Name | dimethyl sulfate |
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Traditional Name | dimethyl sulfate |
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SMILES | COS(=O)(=O)OC |
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InChI Identifier | InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3 |
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InChI Key | VAYGXNSJCAHWJZ-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as sulfuric acid diesters. These are organic compounds containing the sulfuric acid diester functional group with the generic structure ROS(OR')(=O)=O, (R,R'=organyl group). |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Organic sulfuric acids and derivatives |
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Sub Class | Sulfuric acid esters |
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Direct Parent | Sulfuric acid diesters |
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Alternative Parents | |
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Substituents | - Sulfuric acid diester
- Alkyl sulfate
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Biological Properties |
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Status | Detected and Not Quantified |
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Origin | Not Available |
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Cellular Locations | Not Available |
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Biofluid Locations | Not Available |
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Tissue Locations | Not Available |
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Pathways | Not Available |
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Applications | Not Available |
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Biological Roles | Not Available |
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Chemical Roles | Not Available |
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Physical Properties |
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State | Not Available |
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Appearance | Not Available |
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Experimental Properties | Property | Value |
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Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
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Predicted Properties | |
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Spectra |
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Spectra | |
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Toxicity Profile |
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Route of Exposure | Not Available |
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Mechanism of Toxicity | Not Available |
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Metabolism | Not Available |
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Toxicity Values | Not Available |
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Lethal Dose | Not Available |
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Carcinogenicity (IARC Classification) | Not Available |
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Uses/Sources | Not Available |
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Minimum Risk Level | Not Available |
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Health Effects | Not Available |
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Symptoms | Not Available |
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Treatment | Not Available |
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Concentrations |
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| Not Available |
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External Links |
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DrugBank ID | Not Available |
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HMDB ID | HMDB0062108 |
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FooDB ID | Not Available |
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Phenol Explorer ID | Not Available |
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KNApSAcK ID | Not Available |
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BiGG ID | Not Available |
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BioCyc ID | Not Available |
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METLIN ID | Not Available |
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PDB ID | Not Available |
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Wikipedia Link | Dimethyl sulfate |
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Chemspider ID | Not Available |
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ChEBI ID | 59050 |
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PubChem Compound ID | 6497 |
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Kegg Compound ID | C19177 |
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YMDB ID | Not Available |
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ECMDB ID | Not Available |
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References |
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Synthesis Reference | Not Available |
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MSDS | Not Available |
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General References | |
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