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Potassium methyl sulfate

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Name

Potassium methyl sulfate

EINECS 209-231-3
CAS No. 562-54-9 Density 1.602g/cm3
PSA 74.81000 LogP 0.17380
Solubility soluble in water Melting Point 212-217 ºC
Formula CH3KO4S Boiling Point N/A
Molecular Weight 150.197 Flash Point N/A
Transport Information N/A Appearance white crystalline powder
Safety 53-45-36/37/39-26 Risk Codes 45-36/37/38-20/22
Molecular Structure Molecular Structure of 562-54-9 (Potassium methyl sulfate) Hazard Symbols ToxicT
Synonyms

Methylpotassium sulfate (6CI,7CI);Sulfuric acid, monomethyl ester, potassium salt(8CI,9CI);Potassium methyl sulfate;Potassium monomethylsulfate;

Article Data 4

Potassium methyl sulfate Synthetic route

77-78-1

dimethyl sulfate

562-54-9

potassium methyl sulfate

Conditions
ConditionsYield
With potassium acetate In methanol at 5 - 50℃; for 5.16h;63%
With methanol; potassium hydroxide; water
93-58-3

benzoic acid methyl ester

A

562-54-9

potassium methyl sulfate

B

582-25-2

Potassium benzoate

Conditions
ConditionsYield
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;
93-58-3

benzoic acid methyl ester

A

562-54-9

potassium methyl sulfate

B

dipotassium 3-sulfobenzoate

Conditions
ConditionsYield
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;
2459-24-7

methyl 1-naphthoate

A

51307-69-8

5-sulfo-1-naphthoic acid

B

8-sulfo-1-naphthoic acid

C

562-54-9

potassium methyl sulfate

Conditions
ConditionsYield
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
ConditionsYield
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

D

4,8-disulfo-2-naphthoic acid

E

7,7-disulfo-2-naphthoic acid

Conditions
ConditionsYield
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

C

4,8-disulfo-2-naphthoic acid

D

7,7-disulfo-2-naphthoic acid

Conditions
ConditionsYield
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;
77-78-1

dimethyl sulfate

methanolic KOH-solution

methanolic KOH-solution

562-54-9

potassium methyl sulfate

sulfuric acid monomethyl ester; dichloro tin (IV)-compound

aqueous KOH-solution

aqueous KOH-solution

A

562-54-9

potassium methyl sulfate

B

Sn(OH)4

Sn(OH)4

C

KCl

KCl

110-85-0

piperazine

562-54-9

potassium methyl sulfate

106-58-1

N,N'-dimethylpiperazine

Conditions
ConditionsYield
With water

Potassium methyl sulfate 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

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