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| CAS No.: | 562-54-9 |
|---|---|
| Name: | Potassium methyl sulfate |
| Molecular Structure: | |
|
|
|
| Formula: | CH3KO4S |
| Molecular Weight: | 150.197 |
| Synonyms: | Methylpotassium sulfate (6CI,7CI);Sulfuric acid, monomethyl ester, potassium salt(8CI,9CI);Potassium methyl sulfate;Potassium monomethylsulfate; |
| EINECS: | 209-231-3 |
| Density: | 1.602g/cm3 |
| Melting Point: | 212-217 ºC |
| Solubility: | soluble in water |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 T
|
| Risk Codes: | 45-36/37/38-20/22 |
| Safety: | 53-45-36/37/39-26 |
| PSA: | 74.81000 |
| LogP: | 0.17380 |
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| Conditions | Yield |
|---|---|
| With potassium acetate In methanol at 5 - 50℃; for 5.16h; | 63% |
| With methanol; potassium hydroxide; water |
| Conditions | Yield |
|---|---|
| With sulfur trioxide; water 1.) CH2Cl2, 22 deg C, 1150 min, 2.) 70-80 deg C, 30 min; Yield given. Multistep reaction. Yields of byproduct given; | |
| With sulfur trioxide; water 1.) CH2Cl2, 22 deg C, 1150 min, 2.) 70-80 deg C, 30 min; Yield given. Multistep reaction. Yields of byproduct given. Title compound not separated from byproducts; |
| Conditions | Yield |
|---|---|
| With sulfur trioxide; water 1.) CH2Cl2, 22 deg C, 1150 min, 2.) 70 - 80 deg C, 30 min; Multistep reaction. Title compound not separated from byproducts; |
| Conditions | Yield |
|---|---|
| With sulfur trioxide; water 1.) CH2Cl2, 22 deg C, 140 min, 2.) 70 - 80 deg C, 30 min; Multistep reaction. Title compound not separated from byproducts; |
- 2459-25-8
methyl naphthalene-2-carboxylate
A
- 739346-35-1
naphthalene-2-acetic-8-sulphonic acid
B
- 738561-48-3
5-sulfo-2-naphthoic acid
C
- 562-54-9
potassium methyl sulfate
| Conditions | Yield |
|---|---|
| With sulfur trioxide; water 1.) CH2Cl2, 22 deg C, 120 min, 2.) 70 - 80 deg C, 30 min; Multistep reaction. Title compound not separated from byproducts; |
- 2459-25-8
methyl naphthalene-2-carboxylate
A
- 739346-35-1
naphthalene-2-acetic-8-sulphonic acid
B
- 738561-48-3
5-sulfo-2-naphthoic acid
C
- 562-54-9
potassium methyl sulfate
| Conditions | Yield |
|---|---|
| With sulfur trioxide; water Product distribution; multistep reaction; various reaction conditions; |
- 2459-25-8
methyl naphthalene-2-carboxylate
A
- 739346-35-1
naphthalene-2-acetic-8-sulphonic acid
B
- 562-54-9
potassium methyl sulfate
| Conditions | Yield |
|---|---|
| With sulfur trioxide; water 1.) CH2Cl2, 22 deg C, 1530 min, 2.) 70 - 80 deg C, 30 min; Multistep reaction. Title compound not separated from byproducts; |
| Conditions | Yield |
|---|---|
| With water |
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Specification
The IUPAC name of Potassium methyl sulfate is potassium methyl sulfate. With the CAS registry number 562-54-9, it is also named as Sulfuric acid, monomethyl ester, potassium salt. The product is soluble in water. Besides, it is white crystalline powder, which should be stored in closed containers in a cool and dry warehouse. In addition, its molecular formula is CH3KO4S and molecular weight is 150.19.
The other characteristics of Potassium methyl sulfate can be summarized as: (1)EINECS: 209-231-3; (2)ACD/LogP: -0.45; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -3.95; (5)ACD/LogD (pH 7.4): -3.95; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 4; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 1; (13)Rotatable Bond Count: 1; (14)Exact Mass: 149.938911; (15)MonoIsotopic Mass: 149.938911; (16)Topological Polar Surface Area: 74.8; (17)Heavy Atom Count: 7; (18)Complexity: 108; (19)Polar Surface Area: 71.98 Å2; (20)Melting point: 212-217 °C.
When you are using this chemical, please be cautious about it as the following: it is harmful by inhalation and if swallowed. And it is also irritating to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. Moreover, it may cause cancer. Please avoid exposure - obtain special instructions before use. And in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Furthermore, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)SMILES: [K+].[O-]S(=O)(=O)OC
(2)InChI: InChI=1/CH4O4S.K/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1
(3)InChIKey: WBGWGHYJIFOATF-REWHXWOFAT
(4)Std. InChI: InChI=1S/CH4O4S.K/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1
(5)Std. InChIKey: WBGWGHYJIFOATF-UHFFFAOYSA-M