Sodium methyl sulfate supplier

Name
Sodium methyl sulfate
EINECS 208-142-7
CAS No. 512-42-5
Article Data7
CAS DataBase
Density 1.602g/cm³
Solubility soluble
Melting Point 210 °C(lit.)
Formula CH₄O₄S.Na
Boiling Point
Molecular Weight 134.088
Flash Point
Transport Information
Appearance White powder
Safety 23-45-53-36/37/39-26
Risk Codes 20/22-37/38-45-36/37/38
Molecular Structure
Hazard Symbols Xn; T
Synonyms Sulfuric acid, monomethyl ester, sodium salt(8CI,9CI);Methyl sulfate sodium salt;Sodium methyl sulfate;Sodiummonomethylsulfate;Methylsodium sulfate (6CI,7CI);
PSA 74.81000
LogP 0.17380

Synthetic route

: 106-44-5
p-cresol

: 77-78-1
dimethyl sulfate

A: 104-93-8
4-Methylanisole

B: 512-42-5
sodium methyl sulfate

Conditions

Conditions	Yield
Stage #1: p-cresol With sodium hydroxide In ethanol at 35℃; for 1h; Inert atmosphere; Cooling with ice; Stage #2: dimethyl sulfate In cyclohexane at 40℃; Solvent; Reflux;	A 97% B 50.8 g

...Expand

: 77-78-1
dimethyl sulfate

: 512-42-5
sodium methyl sulfate

Conditions

Conditions	Yield
With sodium hydroxide In water at 70℃; for 0.25h; Reagent/catalyst; Solvent; Temperature;	61%
With sodium ethanolate In ethanol for 0.5h;

: 77-78-1
dimethyl sulfate

: 7681-82-5
sodium iodide

A: 512-42-5
sodium methyl sulfate

B: 74-88-4
methyl iodide

Conditions

Conditions	Yield
In methanol Kinetics; equilibrium reaction;;
In methanol Kinetics; equilibrium reaction;;

...Expand

: 540-72-7
sodium thiocyanide

: 77-78-1
dimethyl sulfate

A: CH3SCN

B: 512-42-5
sodium methyl sulfate

Conditions

Conditions	Yield
In methanol
In methanol

...Expand

: C8H16N3O2(1+)*I(1-)

: 512-42-5
sodium methyl sulfate

: C8H16N3O2(1+)*CH3O4S(1-)

Conditions

Conditions	Yield
In acetonitrile	99%

: C12H24N3O2(1+)*I(1-)

: 512-42-5
sodium methyl sulfate

: C12H24N3O2(1+)*CH3O4S(1-)

Conditions

Conditions	Yield
In acetonitrile	99%

: 108790-41-6
bis(dimethylamino)dichloromethane

: 512-42-5
sodium methyl sulfate

: bis(dimethylamino)chlorocarbenium methyl sulfate

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 5h;	98.3%

: 343927-22-0
2,2-dichloro-1,3-dimethylimidazolidine

: 512-42-5
sodium methyl sulfate

: 1,3-dimethyl-2-chloroimidazolidinium methyl sulfate

Conditions

Conditions	Yield
In acetonitrile at 20℃; for 5h;	94.2%

: 544-10-5
1-Chlorohexane

: C13H20N2O2

: 512-42-5
sodium methyl sulfate

: C19H33N2O2(1+)*CH3O4S(1-)

Conditions

Conditions	Yield
Stage #1: 1-Chlorohexane; C13H20N2O2 for 168h; Heating; Stage #2: sodium methyl sulfate	76%

...Expand

: [Rh2(OAc)3(2,2'-bipyridine)(MeOH)3](OAc)

: 879-08-3
9-Ethylguanine

: 7732-18-5
water

: 512-42-5
sodium methyl sulfate

: [Rh2(OAc)2(2,2'-bipyridine)(9-ethylguanine)(H2O)2(CH3SO4)](CH3SO4)*H2O

Conditions

Conditions	Yield
In methanol under aerobic conditions; a soln. of Rh-contg. compd. (0.100 mmol) in MeOH was treated with a suspn. of 9-ethylguanine (0.100 mmol) in MeOH; themixt. was stirred for several days at room temp.; the react. was monitored by (1)H NMR spectra; the soln. was concd. undervac.; Et2O was added to ppt. the solid; slow evapn. of a MeOH soln. to which was added a small amt. of NaCH3SO4;	72%

...Expand

: 1-butyl-1-(2-cyano-ethyl)-azepanium bromide

: 512-42-5
sodium methyl sulfate

: CH3O4S(1-)*C13H25N2(1+)

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 24h;	66%

: 483-17-0
cephaeline

: 512-42-5
sodium methyl sulfate

: 6793-51-7
10,11,7'-Trimethoxy-2'-methyl-emetan-6'-ol

Conditions

Conditions	Yield
With sodium isopentoxide

: 16671-86-6
2-thiocyanatobenzoic acid

: 512-42-5
sodium methyl sulfate

: 3724-10-5
2-(methylthio)benzoic acid

Conditions

Conditions	Yield
With alkali

: 4-(2,6-Dimethyl-[3]pyridylazo)-phenol

: 512-42-5
sodium methyl sulfate

: 3-(4-methoxy-phenylazo)-2,6-dimethyl-pyridine

Conditions

Conditions	Yield
With sodium isopentoxide

: 145134-26-5
2-Methoxymethoxy-5-((E)-propenyl)-phenol

: 512-42-5
sodium methyl sulfate

: 62427-70-7
(E)-2-methoxy-1-(methoxymethoxy)-4-(prop-1-enyl)benzene

Conditions

Conditions	Yield
With potassium hydroxide

: 5-ethoxythiocarbonylmercapto-2-carboxymethylsulfanyl-benzoic acid

: 512-42-5
sodium methyl sulfate

: 2-carboxymethylsulfanyl-5-methylsulfanyl-benzoic acid

Conditions

Conditions	Yield
With alkali

: 139-02-6
sodium phenoxide

: 512-42-5
sodium methyl sulfate

: 100-66-3
methoxybenzene

Conditions

Conditions	Yield
at 180℃;

: 123-30-8
4-amino-phenol

: 512-42-5
sodium methyl sulfate

: 150-75-4
N-methyl-p-aminophenol

Conditions

Conditions	Yield
With water

: 824-39-5
sodium o-nitrophenate

: 512-42-5
sodium methyl sulfate

: 91-23-6
2-Nitroanisole

Conditions

Conditions	Yield
With methanol at 200℃;

: 512-42-5
sodium methyl sulfate

: 7631-93-8
sodium o-methoxycarbonylphenolate

: 606-45-1
2-methoxybenzoic acid methyl ester

Conditions

Conditions	Yield
bei der Destillation;

: 512-42-5
sodium methyl sulfate

: 74-93-1
methylthiol

Conditions

Conditions	Yield
With water; potassium hydrosulfide Darst.;
With potassium hydrosulfide

: 512-42-5
sodium methyl sulfate

A: 593-79-3
dimethylselenide

B: 7101-31-7
dimethyl diselenide

Conditions

Conditions	Yield
With phosphorus pentaselenide

: 512-42-5
sodium methyl sulfate

: 75-52-5
nitromethane

Conditions

Conditions	Yield
With sodium nitrite
With water; sodium carbonate; sodium nitrite
With potassium nitrate; sodium nitrite at 145℃; Yield given;

: 512-42-5
sodium methyl sulfate

A: 75-52-5
nitromethane

B: 624-91-9
methyl nitrite

Conditions

Conditions	Yield
With alkali nitrite
With alkaline earth nitrite

: 512-42-5
sodium methyl sulfate

: 115-10-6
Dimethyl ether

Conditions

Conditions	Yield
at 220 - 280℃;

: 512-42-5
sodium methyl sulfate

A: 624-92-0
Dimethyldisulphide

B: 3658-80-8
dimethyltrisulfane

Conditions

Conditions	Yield
With sodium disulfide anfangs unter Kuehlung, zuletzt auf dem Wasserbad;

: 512-42-5
sodium methyl sulfate

: 124-58-3
methylarsonic Acid

Conditions

Conditions	Yield
With sodium hydroxide; arsenic(III) trioxide at 130 - 135℃;

: 512-42-5
sodium methyl sulfate

: 147-93-3
Thiosalicylic acid

: 3724-10-5
2-(methylthio)benzoic acid

Conditions

Conditions	Yield
With alkali

: 142-04-1
aniline hydrochloride

: 512-42-5
sodium methyl sulfate

: 62-53-3
aniline

: 467-62-9
pararosaniline

Conditions

Conditions	Yield
With iron; nitrobenzene at 110 - 220℃; im offenen oder geschlossenen Gefaess;
With methanol; iron; nitrobenzene at 110 - 220℃; im geschlossenen Gefaess;

...Expand

: 512-42-5
sodium methyl sulfate

: 62-53-3
aniline

: 467-62-9
pararosaniline

Conditions

Conditions	Yield
With orthoarsenic acid

: 512-42-5
sodium methyl sulfate

: 6793-51-7
10,11,7'-trimethoxy-2'-methyl-emetan-6'-ol

: 3281-58-1
10,11,6',7'-tetramethoxy-2'-methyl-emetane

Conditions

Conditions	Yield
With sodium isopentoxide

Sodium methyl sulfate Specification

The IUPAC name of this chemical is Sodium methyl sulfate. With the CAS registry number 512-42-5 and EINECS 208-142-7, it is also named as Sulfuric acid,monomethyl ester, sodium salt (1:1). In addition, the molecular formula is CH₄O₄S.Na and the molecular weight is 135.09. It is a white powder and soluble in water. What's more, it should be stored in a cool, ventilated and dry place. The storage place must stay away from fire and heat source. And it must be stored apart from acids, edible chemicals.

Physical properties about this chemical are: (1)ACD/LogP: -0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.95; (4)ACD/LogD (pH 7.4): -3.95; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.98 Å²; (13)MonoIsotopic Mass: 133.964974; (14)Topological Polar Surface Area: 74.8; (15)Heavy Atom Count: 7; (16)Formal Charge: 0; (17)Complexity: 108.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation and if swallowed and irritating to eyes and respiratory system and skin. It may cause cancer. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And you should not breathe vapour and should avoid exposure - obtain special instructions before use it. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)OC
(2)InChI: InChI=1/CH4O4S.Na/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1
(3)InChIKey: DZXBHDRHRFLQCJ-REWHXWOFAV

Product Name

Sodium methyl sulfate

Synthetic route

Sodium methyl sulfate Specification

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