Description

Dimethyl Sulfate (CAS No. 77-78-1) is a highly reactive organic compound with the molecular formula C₂H₆O₄S. This colorless, oily liquid is widely recognized for its role as a potent methylating agent in organic synthesis and industrial applications. With an IUPAC name of dimethyl sulfate, it is characterized by its ability to transfer methyl groups to nucleophiles, making it invaluable in the production of pharmaceuticals, dyes, and agrochemicals. Due to its extreme toxicity and carcinogenic properties, Dimethyl Sulfate must be handled with stringent safety precautions, including the use of personal protective equipment (PPE) and proper ventilation. Available in high-purity grades, this chemical is essential for researchers and scientists requiring precise and efficient methylation reactions.

Properties

• CAS Number: 77-78-1
• Complexity: 107
• IUPAC Name: dimethyl sulfate
• InChI: InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3
• InChI Key: VAYGXNSJCAHWJZ-UHFFFAOYSA-N
• LogP: 0.16
• Exact Mass: 125.99867984
• Molecular Formula: C2H6O4S
• Molecular Weight: 126.13
• SMILES: COS(=O)(=O)OC
• Topological: 61
• Monoisotopic Mass: 125.99867984
• Physical Description: Dimethyl sulfate is a colorless oily liquid, odorless to a faint onion-like odor. It is very toxic by inhalation. It is a combustible liquid and has a flash point of 182 °F. It is slightly soluble in water and decomposed by water to give sulfuric acid with evolution of heat. It is corrosive to metals and tissue. It is a potent methylating agent.
• Color/Form: Colorless oily liquid
• Odor: Essentially odorless
• Boiling Point: About 370 °F
• Melting Point: -25.15 °F
• Flash Point: 182 °F
• Solubility: 3 % at 64 °F
• Density: 1.3283 at 68 °F – Denser than water; will sink
• Vapor Density: 4.35 – Heavier than air; will sink
• Vapor Pressure: 0.1 to 0.5 mmHg at 68 °F
• Stability/Shelf Life: Stable at room temperature.
• Autoignition Temperature: 370 °F
• Heat of Combustion: 11,970 J/g at constant pressure , H2SO4
• Heat of Vaporization: 385 J/g at 25 °C
• Surface Tension: 40.12 DYNES/CM AT 18 °C in contact with air
• Refractive Index: Index of refraction: 1.3874 at 20 °C/D
• Synonyms: DIMETHYL SULFATE, 77-78-1, dimethylsulfate, Dimethyl sulphate, Sulfuric acid, dimethyl ester, Dimethyl monosulfate, Dimethylsulfat, Sulfate dimethylique, Sulfuric acid dimethyl ester, Dimethylsulfaat, Dimetilsolfato, DMS (methyl sulfate), Dwumetylowy siarczan, Sulfato de dimetilo, Dimethoxysulfone, Methyle (sulfate de), Sulfate de dimethyle, RCRA waste number U103, Dimethylester kyseliny sirove, CCRIS 265, NSC 56194, HSDB 932, EINECS 201-058-1, Sulfate de methyle, UNII-JW5CW40Z50, BRN 0635994, JW5CW40Z50, DTXSID5024055, CHEBI:59050, AI3-52118, NSC-56194, DTXCID904055, EC 201-058-1, NSC56194, DIMETHYL SULFATE (IARC), DIMETHYL SULFATE [IARC], DMS(METHYL SULFATE), 201-058-1, dimethyl sulfate (acgih:osha), DimethylSulphate, Methyl sulfate, Me2SO4, MFCD00008416, DIMETHYL SULFATE (13C2), 286013-18-1, 1216599-58-4, Dimethylsulfat [Czech], Dimethylsulfaat [Dutch], Dimetilsolfato [Italian], CAS-77-78-1, Dwumetylowy siarczan [Polish], Sulfate dimethylique [French], Sulfate de dimethyle [French], Sulfato de dimetilo [Spanish], Methyle (sulfate de) [French], Me2SO4, UN1595, Dimethylester kyseliny sirove [Czech], RCRA waste no. U103, dimethlysulfate, dimethysulfate, dimetylsulphate, dimethyl-sulfate, dirnethyl sulfate, dimethylsulfuric acid, dimethyl sulfuric acid, SCHEMBL1249, WLN: 1OSWO1, Dimethyl sulfate, >=99%, Sulphuric acid dimethyl ester, DIMETHYL SULFATE [MI], CHEMBL162150, Dimethyl sulfate, >=99.8%, DIMETHYL SULFATE [HSDB], (CH3)2SO4, LLA01318, Tox21_202032, Tox21_300636, BBL034656, STL264200, AKOS000119929, UN 1595, Dimethyl sulfate [UN1595] [Poison], NCGC00248118-01, NCGC00248118-02, NCGC00254411-01, NCGC00259581-01, BP-21324, VS-12630, Dimethyl sulfate, purum, >=95.0% (GC), D0797, NS00006257, EN300-19226, C19177, Dimethyl sulfate, SAJ first grade, >=99.0%, E78998, Q413421, Dimethyl sulfate, puriss. p.a., >=99.0% (GC), InChI=1/C2H6O4S/c1-5-7(3,4)6-2/h1-2H, Dimethyl sulfate, for GC derivatization, >=99.0% (GC), Sulfuric Acid Dimethyl Ester; Dimethyl Sulphate; Methyl Sulfate; NSC 56194; DMS, 139443-72-4, 62086-97-9, 98478-67-2

Application

Dimethyl Sulfate is primarily used as a methylating agent in the synthesis of pharmaceuticals, pesticides, and dyes. It is also employed in the preparation of quaternary ammonium compounds and other specialty chemicals. In laboratory settings, it serves as a reagent for introducing methyl groups into organic molecules under controlled conditions. Due to its hazardous nature, applications are strictly regulated to ensure safety and environmental compliance.

Safety and Hazards

GHS Hazard Statements

• H227: Combustible liquid [Warning Flammable liquids]
• H402: Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard]

Precautionary Statements

• P210, P273, P280, P370+P378, P403, and P501

Hazard Classes and Categories

• Acute Tox. 3 (> 99.9%)
• Acute Tox. 2 (43.9%)
• Skin Corr. 1B (> 99.9%)
• Skin Sens. 1 (> 99.9%)
• Eye Dam. 1 (21.2%)
• Eye Irrit. 2 (43.9%)
• Acute Tox. 2 (> 99.9%)
• STOT SE 3 (52.7%)
• Muta. 2 (99.8%)
• Carc. 1B (99.8%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.