| 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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