Diethyl sulfate
Properties
- Molecular formula
- C4H10O4S
- Molar mass
- 154.18 g/mol
- Exact mass
- 154.0300 Da
- Density
- 1.172 g/mL (at 25 °C)
- Melting point
- −25 °C
- Boiling point
- 208 °C
- Flash point
- 104 °C (closed cup)
- Water solubility
- 7 g/L
- logP
- 0.30Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 4
Hazards
Danger
- H302 Harmful if swallowedAcute toxicity, oral
- H312 Harmful in contact with skinAcute toxicity, dermal
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
- H332 Harmful if inhaledAcute toxicity, inhalation
- H340 May cause genetic defectsGerm cell mutagenicity
- H350 May cause cancerCarcinogenicity
Harmonised EU classification (CLP Annex VI, index 016-027-00-6), via PubChem.
Precautionary statements
P203, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P362+P364, P363, P405, P501
Identifiers
CAS number
64-67-5SMILES
CCOS(=O)(=O)OCCInChIKey
DENRZWYUOJLTMF-UHFFFAOYSA-NInChI
InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Sulfuric acid, diethyl ester
- Ethyl sulfate (Et2SO4)
- Diethyl sulphate
- Ethyl sulfate
- DES
- NSC 56380
Work with Diethyl sulfate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Ethyl methanesulfonate62-50-052 % similar
1,3,2-Dioxathiolan-2,2-dioxide1072-53-350 % similar
Ethyl chlorosulfate625-01-450 % similar
1,3,2λ6-Dioxathiane-2,2-dione1073-05-845 % similar
Ethyl trifluoromethanesulphonate425-75-244 % similar
Ethyl benzenesulfonate515-46-839 % similar
Methoxyethane540-67-037 % similar
Ethyl p-toluenesulfonate80-40-037 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.