Sodium isethionate supplier

Name
Sodium isethionate
EINECS 216-343-6
CAS No. 1562-00-1
Article Data24
CAS DataBase
Density 1.625 g/cm³
Solubility Soluble in water
Melting Point 191-194 °C(lit.)
Formula C₂H₅NaO₄S
Boiling Point
Molecular Weight 148.115
Flash Point
Transport Information
Appearance White crystalline powder
Safety 24/25-36-22
Risk Codes 40
Molecular Structure
Hazard Symbols Xn
Synonyms Ethanesulfonicacid, 2-hydroxy-, monosodium salt (8CI,9CI);Ethanesulfonic acid, 2-hydroxy-,sodium salt (7CI);Isethionic acid sodium salt (6CI);2-Hydroxyethanesulfonicacid sodium salt;Adeka Tec HES;Sodium 1-hydroxy-2-ethanesulfonate;Sodium 2-hydroxyethanesulfonate;Sodium b-hydroxyethanesulfonate;Sodium hydroxyethylsulfonate;Isethionic acid, sodium salt;
PSA 85.81000
LogP -0.39530

Synthetic route

: 75-21-8
oxirane

: 1562-00-1
sodium 2-hydroxyethanesulfonate

Conditions

Conditions	Yield
With sodium hydrogen sulfate at 40℃; for 0.25h; Temperature; Large scale;	99.5%
With water; sodium hydrogensulfite
With sodium metabisulfite

: 107-07-3
2-chloro-ethanol

: 1562-00-1
sodium 2-hydroxyethanesulfonate

Conditions

Conditions	Yield
With copper; sodium sulfite In ethanol; water for 22h; Reflux;	77.4%

: 78303-70-5
2-hydroxyethane-1-sulfonyl chloride

A: 43166-41-2
sodium 2-hydroxyethanesulfinate

B: 1562-00-1
sodium 2-hydroxyethanesulfonate

Conditions

Conditions	Yield
With sodium hydrogencarbonate; sodium sulfite In water at 25℃; for 2.5h;	A 51% B 20%

: 110-86-1
pyridine

: 78303-70-5
2-hydroxyethane-1-sulfonyl chloride

A: 24020-66-4
pyridinebetaine B

B: 1562-00-1
sodium 2-hydroxyethanesulfonate

C: 15484-44-3
Na-salt of 2-chloroethane-1-sulfonic acid

D: 87323-96-4
C2H4(2)HO4S(1-)*Na(1+)

Conditions

Conditions	Yield
With deuteriated sodium hydroxide In water-d2 at 25℃; for 0.5h; apparent pH 6; Further byproducts given. Yields of byproduct given;	A 57 % Spectr. B n/a C 7 % Spectr. D n/a

...Expand

: 540-72-7
sodium thiocyanide

: 78303-70-5
2-hydroxyethane-1-sulfonyl chloride

A: 1562-00-1
sodium 2-hydroxyethanesulfonate

B: 124739-85-1
sodium thiocyanatoethanesulfonate

Conditions

Conditions	Yield
With sodium perchlorate In acetonitrile at 25℃; Rate constant; Mechanism; Product distribution; pH 3.0;

...Expand

: 78303-70-5
2-hydroxyethane-1-sulfonyl chloride

A: 1562-00-1
sodium 2-hydroxyethanesulfonate

B: 3039-83-6
sodium vinylsulfonate

C: 15484-44-3
Na-salt of 2-chloroethane-1-sulfonic acid

Conditions

Conditions	Yield
With sodium hydroxide; potassium chloride at 25℃; pH 4;	A 52 % Spectr. B n/a C 48 % Spectr.

...Expand

: 78303-70-5
2-hydroxyethane-1-sulfonyl chloride

A: 1562-00-1
sodium 2-hydroxyethanesulfonate

B: 15484-44-3
Na-salt of 2-chloroethane-1-sulfonic acid

Conditions

Conditions	Yield
With sodium hydroxide; potassium chloride In 1,2-dimethoxyethane at 25℃; for 1.5h; Product distribution; var. pH; KCl added in var. conc.;	A 90 % Spectr. B 3 % Spectr.
With perchloric acid; sodium chloride In acetonitrile at 25℃; Rate constant; Mechanism; Product distribution; var. pH, added salts, time; deuterium labelling experiments;
With sodium hydroxide In 1,2-dimethoxyethane at 25℃; for 1.5h; pH 4;	A 90 % Spectr. B 3 % Spectr.

: 75-21-8
oxirane

: sodium hydrogensulfite

: 1562-00-1
sodium 2-hydroxyethanesulfonate

Conditions

Conditions	Yield
In not given in tube autoclave, below 50°C;
In not given for a while, 100°C, in closed tube;

: 107-35-7
Tau

: 1562-00-1
sodium 2-hydroxyethanesulfonate

Conditions

Conditions	Yield
With oxirane at 78℃; Temperature;

: 461-42-7
2-sulfooxy-ethanesulfonic acid

: 1562-00-1
sodium 2-hydroxyethanesulfonate

Conditions

Conditions	Yield
Stage #1: 2-sulfooxy-ethanesulfonic acid With water for 3h; Reflux; Stage #2: With sodium sulfate; calcium hydroxide In water pH=8 - 9;

: 107-36-8
2-hydroxyethanesulfonic acid

: 1562-00-1
sodium 2-hydroxyethanesulfonate

Conditions

Conditions	Yield
With sulfuric acid; sodium sulfate; calcium hydroxide pH=8-9;

: 107-36-8
2-hydroxyethanesulfonic acid

: 7347-25-3
sodium taurinate

A: 107-35-7
Tau

B: 1562-00-1
sodium 2-hydroxyethanesulfonate

Conditions

Conditions	Yield
In water at 20℃; pH=5.5; pH-value;

...Expand

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 99-33-2
3,5-dinitrobenoyl chloride

: 117264-60-5
sodium 2-(3,5-dinitrobenzoyloxy)ethanesulfonate

Conditions

Conditions	Yield
In neat (no solvent) for 0.0833333h; Heating;	97%

: 124-07-2
Octanoic acid

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 74-89-5
methylamine

: N-octanoyl-N-methyl taurine sodium

Conditions

Conditions	Yield
at 150℃; for 4h;	95.6%

...Expand

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 107-35-7
Tau

Conditions

Conditions	Yield
With C22H24OP(1+)*CH3O3S(1-); ammonia; copper(l) chloride at 160℃; under 73507.4 Torr; for 0.5h; Reagent/catalyst; Temperature; Pressure;	95%
Stage #1: sodium 2-hydroxyethanesulfonate pH=12.5; Stage #2: With ammonia In water at 250℃; under 135014 Torr; for 2h; Autoclave;	91%
With ammonium hydroxide; sodium hydroxide at 250℃; for 2h; Reagent/catalyst; Temperature; Autoclave;	78.4%

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 7347-25-3
sodium taurinate

Conditions

Conditions	Yield
With lithium bismuthate; ammonia; copper(l) chloride In water at 120℃; under 38253.8 Torr; for 0.5h; Reagent/catalyst; Temperature; Pressure;	95%
With ammonium hydroxide at 255℃; under 31128.1 Torr; for 1.5h; Pressure; Temperature;	39.16%
With ammonia at 250℃; for 2h; Autoclave;

: 103-76-4
1-(2-hydroxyethyl)piperazine

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 75277-39-3
4-(2-hydroxyethyl)piperazine-1-ethanesulfonic acid sodium salt

Conditions

Conditions	Yield
sodium hydroxide at 204℃; under 4793.91 Torr; for 2.25h; Product distribution / selectivity; Autoclave;	94.6%
sodium hydroxide In water at 140 - 200℃; under 1587.51 - 5414.51 Torr; for 2 - 72h; Product distribution / selectivity; Autoclave;	6%

: 143-07-7
lauric acid

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 74-89-5
methylamine

: 4337-75-1
sodium N-lauroyl N-methyl taurate

Conditions

Conditions	Yield
at 260℃; for 2h;	92%

...Expand

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 107-36-8
2-hydroxyethanesulfonic acid

Conditions

Conditions	Yield
With hydrogenchloride In isopropyl alcohol at 20 - 50℃;	91.1%
With hydrogenchloride In isopropyl alcohol at 20 - 50℃;	91.1%
With resin In water at 20℃; for 96h;

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 52663-46-4
sodium 2-(acetyloxy)ethanesulfonate

Conditions

Conditions	Yield
In acetic anhydride	91%

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 108-24-7
acetic anhydride

: 52663-46-4
sodium 2-(acetyloxy)ethanesulfonate

Conditions

Conditions	Yield
for 5h; Reflux;	91%

: C24H22ClO3P

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: C26H26O7PS(1-)*Na(1+)

Conditions

Conditions	Yield
In dimethyl sulfoxide at 90℃; for 24h;	91%

: cocinic acid

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 74-89-5
methylamine

: C22H27N2O7S(1-)*Na(1+)

Conditions

Conditions	Yield
at 210℃; for 4h; Temperature;	90.5%

...Expand

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 1622-32-8
2-Chloroethanesulfonyl chloride

Conditions

Conditions	Yield
With thionyl chloride In dichloromethane; N,N-dimethyl-formamide at 20 - 60℃;	90%
With thionyl chloride In N,N-dimethyl-formamide for 4h; Inert atmosphere; Reflux;	64%
With phosphorus pentachloride

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 71381-91-4, 114978-05-1, 115588-20-0, 34715-60-1
(+/-)-2-(4-isobutylphenyl)propanoyl chloride

: 126962-22-9
2-[2-(4-isobutylphenyl)propionoyloxy]ethanesulfonic acid sodium salt

Conditions

Conditions	Yield
With pyridine at 130℃; for 4h; Inert atmosphere;	86.7%

: 103-76-4
1-(2-hydroxyethyl)piperazine

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 7365-45-9
N-2-hydroxyethylpiperazine-N'-2-ethanesulfonic acid

Conditions

Conditions	Yield
Stage #1: 1-(2-hydroxyethyl)piperazine; sodium 2-hydroxyethanesulfonate In methanol at 50℃; for 5.5h; Stage #2: With 5percent by weight of raffinate In water Solvent; Temperature;	85.6%

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 100-51-6
benzyl alcohol

: sodium 2-benzylether ethanesulfonate

Conditions

Conditions	Yield
With sodium hydroxide at 180 - 200℃; for 3h; Temperature;	78.6%

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 544-63-8
n-tetradecanoic acid

: 74-89-5
methylamine

: 18469-44-8
sodium 2-[methyl(1-oxotetradecyl)amino]ethanesulfonate

Conditions

Conditions	Yield
at 280℃; for 6h;	78%

...Expand

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 51091-84-0
(S)-naproxenoyl chloride

: 1268343-92-5
(S)-2-[2-(6-Methoxynaphthyl-2-yl)propionoyloxy]ethanesulfonic acid sodium salt

Conditions

Conditions	Yield
With pyridine at 130℃; for 4h; Inert atmosphere;	72.2%

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 1562-00-1, 115077-18-4
disodium 2-oxidoethane-1-sulfonate

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran for 120h; Heating;	58.3%

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 103-80-0
phenylacetyl chloride

: 2-(phenylacetyloxy)ethanesulfonic acid sodium salt

Conditions

Conditions	Yield
With pyridine at 130℃; for 4h; Inert atmosphere;	54.6%
at 130 - 140℃;

: Hexanoic acid (Z)-8-chlorocarbonyl-1,7-dimethyl-oct-7-enyl ester

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: Sodium; 2-((Z)-9-hexanoyloxy-3-methyl-dec-2-enoyloxy)-ethanesulfonate

Conditions

Conditions	Yield
In toluene Heating;	49%

: Tricosanoic acid (Z)-8-chlorocarbonyl-1,7-dimethyl-oct-7-enyl ester

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: Sodium; 2-((Z)-3-methyl-9-tricosanoyloxy-dec-2-enoyloxy)-ethanesulfonate

Conditions

Conditions	Yield
In toluene Heating;	47%

: 110-91-8
morpholine

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 71119-23-8
2-(N-morpholino)ethanesulfonic acid sodium salt

Conditions

Conditions	Yield
sodium hydroxide In water at 200℃; under 3345.86 - 8517.48 Torr; for 2 - 4h; Product distribution / selectivity; Autoclave;	44.2%

: (5Z,9Z)-Tetracosa-5,9-dienoic acid (Z)-8-chlorocarbonyl-1,7-dimethyl-oct-7-enyl ester

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: Sodium; 2-[(Z)-3-methyl-9-((5Z,9Z)-tetracosa-5,9-dienoyloxy)-dec-2-enoyloxy]-ethanesulfonate

Conditions

Conditions	Yield
In toluene Heating;	43%

: (Z)-Docos-15-enoic acid (Z)-8-chlorocarbonyl-1,7-dimethyl-oct-7-enyl ester

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: Sodium; 2-[(Z)-9-((Z)-docos-15-enoyloxy)-3-methyl-dec-2-enoyloxy]-ethanesulfonate

Conditions

Conditions	Yield
In toluene Heating;	29%

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 20357-37-3
1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetyl chloride

: 2-{2-[1-((4-chlorobenzoyl)-2-methyl-5-methoxyl-1H-indoyl-3-yl)]acetoxy}ethanesulfonic acid sodium salt

Conditions

Conditions	Yield
With pyridine at 50 - 60℃; for 24h; Inert atmosphere;	22.1%

: 7144-08-3
Cholesteryl chloroformate

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: Sodium; 2-[(3S,8S,9S,10R,13R,14S,17R)-17-((R)-1,5-dimethyl-hexyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yloxycarbonyloxy]-ethanesulfonate

Conditions

Conditions	Yield
With pyridine for 20h; Ambient temperature;	21%

: 1562-00-1
sodium 2-hydroxyethanesulfonate

: 100-44-7
benzyl chloride

: C9H11O4S(1-)*K(1+)

Conditions

Conditions	Yield
Stage #1: sodium 2-hydroxyethanesulfonate; benzyl chloride With triethylamine at 70 - 130℃; for 1h; Stage #2: With potassium chloride at 35 - 40℃;	19%

Sodium isethionate Specification

The Ethanesulfonic acid,2-hydroxy-, sodium salt (1:1) with CAS registry number of 1562-00-1 is also known as Sodium isethionate. The IUPAC name is Sodium 2-hydroxyethanesulfonate. Its EINECS registry number is 216-343-6. In addition, the formula is C₂H₅NaO₄S and the molecular weight is 148.11. This chemical is a white crystalline powder that soluble in water. It should be sealed in cool, dry place away from oxidants. What's more, it is used as surfactant intermediate, cosmetic and pharmaceutical intermediate.

Physical properties about Ethanesulfonic acid,2-hydroxy-, sodium salt (1:1) are: (1)ACD/LogP: -2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.95; (4)ACD/LogD (pH 7.4): -6.02; (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: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 71.98Å².

Preparation of Ethanesulfonic acid,2-hydroxy-, sodium salt (1:1): it is prepared by reaction of 2-hydroxyethanesulfonyl chloride with another product of sodium 2-hydroxyethanesulfinate. The reaction needs reagents Na₂SO₃, NaHCO₃ and solvent H₂O at the temperature of 25 °C. The yield is about 51%.

Ethanesulfonic acid,2-hydroxy-, sodium salt (1:1) is prepared by reaction of 2-hydroxyethanesulfonyl chloride with another product of sodium 2-hydroxyethanesulfinate.

Uses of Ethanesulfonic acid,2-hydroxy-, sodium salt (1:1): it is used to produce sodium 2-(3,5-dinitrobenzoyloxy)ethanesulfonate by reaction with sodium 2-(3,5-dinitrobenzoyloxy)ethanesulfonate. The reaction occurs with solvent neat and other condition of heating for 5 minutes. The yield is about 97%.

Ethanesulfonic acid,2-hydroxy-, sodium salt (1:1) is used to produce sodium 2-(3,5-dinitrobenzoyloxy)ethanesulfonate by reaction with sodium 2-(3,5-dinitrobenzoyloxy)ethanesulfonate.

When you are using this chemical, please be cautious about it. As a chemical, it may cause damage to health. However, there is limited evidence of a carcinogenic effect. During using it, wear suitable protective clothing and do not breathe dust. Avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C(CS(=O)(=O)[O-])O.[Na+]
2. InChI: InChI=1S/C2H6O4S.Na/c3-1-2-7(4,5)6;/h3H,1-2H2,(H,4,5,6);/q;+1/p-1
3. InChIKey: LADXKQRVAFSPTR-UHFFFAOYSA-M

Product Name

Sodium isethionate

Synthetic route

Sodium isethionate Specification

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