DIMETHYL SULFATE Premium grade

1 Properties: colorless or light yellow transparent liquid, micro strip onion smell. [1]

2.pH value: < 7 (1% solution) [2]

3 melting point (c): -31.8[3]

4 boiling point (decomposition, c): 188[4]

5 relative density (water =1): 1.33 (20 degrees C) [5]

6 relative vapor density (air =1): 4.35[6]

7 saturated vapor pressure (kPa): 2 (76 degrees C) [7]

8 critical pressure (MPa): 7.01[8]

9 the octanol / water partition coefficient: 0.16[9]

10 point (c): 83 (OC); 83.3 (CC) [10]

11 ignition temperature (c): 188[11]

Upper limit of 12.. Explosion (%): 23.3[12]

13 explosion lower limit (%): 3.6[13]

14 solubility: slightly soluble in water, soluble in ethanol, ether, acetone, etc.. [14]

toxicology data

1, people inhale 97ppm/10M LCLo. Rat oral 205mg/kg LC50:; inhaled 45mg/m3/4H LD50. Mice were exposed to LC50: 140 mg/kg; inhaled LC50: 280 mg/m3. Two methyl sulfate is high toxic, and mustard gas is similar to that of acute toxicity similar to phosgene, is 15 times bigger than chlorine. The eyes and upper respiratory tract have a strong stimulating effect, has strong corrosive effect on the skin. Can cause conjunctival congestion and edema, corneal epithelial exfoliation, tracheal and bronchial epithelial cell necrosis, worn out resulting in mediastinal or subcutaneous emphysema. In addition, also can damage the liver, kidney and heart, skin contact can cause burns, blisters and depth of necrosis. Mechanism of action is not entirely clear, most scholars think is due to the nature of the substance of the methyl, it hydrolyzed in vivo into methanol and sulfuric acid and cause toxic effects, which have been by animal experiment and death cases of blood and guts in methanol detection confirmed. That Ghiringhelli the local effects of eye and skin, in part due to sulfate and the effects of systemic and nervous system and pulmonary edema is due to a toxic effect of dimethyl sulfate molecule itself, because it can make the body of some important groups of methylation induced by. Two methyl sulfate on the skin damage, in addition to its corrosive effect, but also may cause contact allergic dermatitis. In recent years, animal experiments in foreign countries reported that the chromosome aberration caused by two methyl sulfate poisoning. Experiment with rats also confirmed that there is a carcinogenic effect.

2 acute toxicity [15]

LD50:205mg/kg (rat)

LC50:45mg/m3 (rat inhalation, 4h)

3 stimulating [16]

Rabbit skin: 10mg (24h), severe stimulation (open stimulation test).

Rabbit eyes: 100mg (4S), severe stimulation (water rinse)

4 subacute and chronic toxicity [17] rats inhaled 0.5ppm, weekly 6h, 2 weeks, no effect; 17mg/m3,18 weeks, MLC (minimum lethal concentration). After six months of exposure to animals, it can be seen that the pain is reduced.

5 mutagenicity DNA [18] damage: human lymphocytes 1mmol/L. Sister chromatin exchange: human fibroblasts 1 mol/L. DNA adduct: human HeLa cells 5 mu mol/L. Procedures for the synthesis of DNA: human lymphocytes 10 mu mol/L.

6 carcinogenic IARC [19] carcinogenic review: G2A, a possible human carcinogen.

Ecological data

1 ecological toxicity LC50:7.5~15mg/L [20] (96h) (FISH)

2 biodegradability [21]

Aerobic biodegradation (H): 168~672

Anaerobic biodegradation (H): 672~2688

3 non biodegradable [22]

Half life (H) of the air in the air: 36.5~365

Molecular structure data

1, molar refractive index: 23.59

2, molar volume (cm3/mol): 95.3

3, such as Zhang (90.2K): 234.2

4, surface tension (dyne/cm): 36.4

5, polarization ratio (10-24cm3): 9.35

Computational chemistry data

1 hydrophobic parameter calculation reference value (XlogP): -0.3

2 hydrogen bond donor number: 0

3 hydrogen bond acceptor number: 4

4 the number of rotatable chemical keys: 2

5 the number of each variance structure: None

6 topological polar surface area 61

7 heavy atom number: 7

8 surface charge: 0

9 complexity: 107

10 isotope atomic number: 0

11 determine the number of atomic structure centers: 0

12 the number of the atomic number: 0

13 to determine the number of chemical bond Center: 0

14 uncertainty of the number of chemical bond Center: 0

15 the number of covalent bonds: 1

Property and stability

1 this product is highly toxic. Strong irritation and corrosion effects on the mucosa and skin of the respiratory system. Affect the nervous system and blood system, damage the heart, lungs, liver, kidney and other functions. Rat oral LD50 was 440mg/kg. Air content of up to 1%, the inhalation of the human body that is fatal. Maximum allowable concentration of 0.5mg/m3. Available water as an antidote. Operator should wear protective equipment.

2 stability [23] stability

3 cut material [24] strong oxidant, alkali, ammonia, water

4 avoid contact with [25] moist air conditions

5 polymerization hazard [26] does not aggregate

6 decomposition products of [27] sulfur dioxide

Storage method

Storage note [28] store in a cool, dry, well ventilated warehouse, the implementation of "double send and receive, double custody" system. Away from the fire, heat source. Library temperature is not more than 32 degrees Celsius, the relative humidity is not more than 80%. Keep container seal. Should be with the oxidant, alkali, food chemicals stored separately, avoid mixing. Fire fighting equipment with corresponding variety and quantity. The storage area should be equipped with a leak emergency treatment equipment and a suitable shelter material.

synthetic method

Method for the synthesis of dimethyl sulfate, such as sodium, anhydrous sulfate and methanol method, dimethyl ether and sulfur trioxide synthesis, chlorosulfonic acid synthesis, methyl hydrogen sulfate method. But in addition to dimethyl ether and sulfur trioxide synthesis method, there is a low yield of the product, raw material consumption, equipment corrosion and serious problem.

The 1 industry mainly uses two ether and three sulfur dioxide reaction to produce two sulfuric acid methyl ester. The dehydration of methanol was two