Dithioerythritol supplier | CasNO.6892-68-8

Name
Dithioerythritol
EINECS 229-998-8
CAS No. 6892-68-8
Article Data17
CAS DataBase
Density 1.303 g/cm³
Solubility 10 mg/mL in water clear, colorless
Melting Point 82-84 °C(lit.)
Formula C₄ H₁₀O₂S₂
Boiling Point 364.453 °C at 760 mmHg
Molecular Weight 154.254
Flash Point 174.215 °C
Transport Information
Appearance White solid
Safety 26-37/39
Risk Codes 36/37/38-22
Molecular Structure
Hazard Symbols Xn
Synonyms 2,3-Butanediol,1,4-dimercapto-, (R*,S*)-;Erythritol, 1,4-dithio- (8CI);1,4-Dithioerythritol;DTE;Dithioerythritol;erythro-1,4,-Dimercapto-2,3-butanediol;
PSA 118.06000
LogP -0.43220

Synthetic route

: 2,3-diacetylthiomethyl ethylene oxide

: 6892-68-8
1,4-dithio-erythritol

Conditions

Conditions	Yield
With sodium hydroxide In water at 50℃; for 5h; Reagent/catalyst;	83%

: C4H10O8S2

: 6892-68-8
1,4-dithio-erythritol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 25℃; for 18h;	79%

: 40227-25-6
cis-4,5-dihydroxy-1,2-dithiane

: 6892-68-8
1,4-dithio-erythritol

Conditions

Conditions	Yield
With tris-(2-carboxyethyl)-phosphine hydrochloride; potassium carbonate In methanol; chloroform; water at 20℃; for 6h;	70%

: 1194723-61-9
Dithiothreitoltetraacetat

: 6892-68-8
1,4-dithio-erythritol

Conditions

Conditions	Yield
With hydrogenchloride In methanol at 25℃; for 5h; Inert atmosphere;	70%

tetraacetyl derivative of erythro-1.4-dimercapto-butanediol-(2.3): tetraacetyl derivative of erythro-1.4-dimercapto-butanediol-(2.3)

: 6892-68-8
1,4-dithio-erythritol

Conditions

Conditions	Yield
With hydrogenchloride

: 930-22-3
epoxybutene

: 564-00-1, 1464-53-5, 30031-64-2, 30419-67-1, 34897-03-5, 298-18-0
1,2:3,4-Diepoxybutane

A: 6892-68-8
1,4-dithio-erythritol

: 27565-41-9
1,4-dithio-D,L-threitol

Conditions

Conditions	Yield
With sodium hydroxide; water In methanol; water at 20 - 35℃; under 4500.45 Torr; for 14h;

...Expand

: 6892-68-8
1,4-dithio-erythritol

: 40227-25-6
cis-4,5-dihydroxy-1,2-dithiane

Conditions

Conditions	Yield
With 2-(4-nitrophenyl)-1,2-benzoisoselenazole-3(2H)-one; dihydrogen peroxide In d(4)-methanol for 2h; Reagent/catalyst;	100%
In dimethyl sulfoxide at 110℃; for 3h;	92%
With potassium hydroxide; oxygen In methanol at 20℃; for 60h;	65%
With oxygen; potassium hydroxide In methanol; water for 48h;

: 6892-68-8
1,4-dithio-erythritol

: 27567-82-4
bicyclopropylidene

: (2R,3S)-1,4-Bis-(bicyclopropyl-1-ylsulfanyl)-butane-2,3-diol

Conditions

Conditions	Yield
In benzene-d6 at 75℃; for 2h; in dark;	99%

: 6892-68-8
1,4-dithio-erythritol

: 186256-53-1
4-tert-butyl-2,6-bis[(2,2'',6,6''-tetramethyl-m-terphenyl-2'-yl)methyl]benzenesulfenic acid

: (2R,3S)-1-[4-tert-Butyl-2,6-bis-(2,6,2'',6''-tetramethyl-[1,1';3',1'']terphenyl-2'-ylmethyl)-phenyldisulfanyl]-4-mercapto-butane-2,3-diol

Conditions

Conditions	Yield
In dichloromethane Ambient temperature;	81%

: 1-bromoglycerol

: 167767-80-8
((2-p-methoxybenzyloxycarbonyl)ethyl)disulfide

: 6892-68-8
1,4-dithio-erythritol

: 167767-81-9
6,7-dihydroxy-4-thiaheptanoic acid p-methoxybenzyl ester

Conditions

Conditions	Yield
With sodium bicarbonate; triethylamine; citric acid In N-methyl-acetamide; chloroform; nitrogen; water	67%

...Expand

: 6892-68-8
1,4-dithio-erythritol

A: 40227-25-6
cis-4,5-dihydroxy-1,2-dithiane

B: (1R,2S,7R,8S)-1,2,7,8-tetrahydroxy-4,5,10,11-tetrathiacyclododecane

Conditions

Conditions	Yield
With AcOH-NaOH buffer; potassium hexacyanoferrate(III) for 24h; pH = 4.0;	A 60% B 15%

: 6892-68-8
1,4-dithio-erythritol

: 115321-58-9
2-<<(2-hydroxyethyl)sulfonyl>methyl>-m-nitro-2(Z)-pentadienophenone

: 115321-74-9, 115403-95-7
((E)-(3S,4R)-3,4-Dihydroxy-1,6-dithia-cycloundec-9-en-8-yl)-(3-nitro-phenyl)-methanone

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; hydroquinone In methanol at -40℃;

: 6892-68-8
1,4-dithio-erythritol

: 59177-12-7, 66460-22-8, 66460-23-9
C4H9O2S2

Conditions

Conditions	Yield
In water pH 3.75 (phosphate buffer), pulse radiolysis, N2O;

: 6892-68-8
1,4-dithio-erythritol

: 14193-38-5, 16096-98-3, 37031-12-2, 40227-25-6, 74185-01-6, 86023-22-5, 89825-28-5
C4H8O2S2(1-)

Conditions

Conditions	Yield
In water pH 6.9 (phosphate buffer), pulse radiolysis, N2O;

: 6892-68-8
1,4-dithio-erythritol

: 81197-94-6
Octahydrodithieno<3,4-b:3',4'-e>-1,4-dithiin

Conditions

Conditions	Yield
With hydrogenchloride at 75℃; Yield given;

: 6892-68-8
1,4-dithio-erythritol

: 28721-76-8
3-methyl-7,8-dimethyl-10-(1'-D-ribityl)isoalloxazine

A: 74185-01-6
4,5-dihydroxy-1,2-dithiane

B: C18H23N4O6(1-)

Conditions

Conditions	Yield
With potassium chloride; acetic acid at 25℃; Rate constant; other acids;

...Expand

: 6892-68-8
1,4-dithio-erythritol

: C4H9NO3S2

Conditions

Conditions	Yield
With sodium nitrite Ambient temperature; pH 1-2;

: 6892-68-8
1,4-dithio-erythritol

: C4H8N2O4S2

Conditions

Conditions	Yield
With sodium nitrite Ambient temperature; pH 1-2;

: 6892-68-8
1,4-dithio-erythritol

: C4H9NO3S2

: (2S,3R)-1-((2R,3S)-2,3-Dihydroxy-4-mercapto-butyldisulfanyl)-4-mercapto-butane-2,3-diol

Conditions

Conditions	Yield
In water at 25℃; Rate constant;

: 6892-68-8
1,4-dithio-erythritol

: 380305-91-9
C56H58OSe

: C60H66O2S2Se

Conditions

Conditions	Yield
In chloroform-d1 at 20℃;	100 % Spectr.

: 109-65-9
1-bromo-butane

: 6892-68-8
1,4-dithio-erythritol

: 138-59-0
shikimic acid

: 35661-39-3
N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine

: (1R,2S,3S,4S,5R)-2-(4-Butylsulfanyl-2,3-dihydroxy-butylsulfanyl)-3,4,5-trihydroxy-cyclohexanecarboxylic acid ((S)-1-carbamoyl-ethyl)-amide

Conditions

Conditions	Yield
Multistep reaction;

...Expand

: 109-65-9
1-bromo-butane

: 6892-68-8
1,4-dithio-erythritol

: 138-59-0
shikimic acid

: 71989-14-5
Fmoc-(tBu)Asp-OH

: (S)-3-{[(1R,2S,3S,4S,5R)-2-(4-Butylsulfanyl-2,3-dihydroxy-butylsulfanyl)-3,4,5-trihydroxy-cyclohexanecarbonyl]-amino}-succinamic acid

Conditions

Conditions	Yield
Multistep reaction;

...Expand

: 109-65-9
1-bromo-butane

: 6892-68-8
1,4-dithio-erythritol

: 138-59-0
shikimic acid

: 71989-18-9
Fmoc-Glu(OtBu)-OH

: (S)-4-{[(1R,2S,3S,4S,5R)-2-(4-Butylsulfanyl-2,3-dihydroxy-butylsulfanyl)-3,4,5-trihydroxy-cyclohexanecarbonyl]-amino}-4-carbamoyl-butyric acid

Conditions

Conditions	Yield
Multistep reaction;

...Expand

: 446-48-0
o-fluorobenzyl bromide

: 6892-68-8
1,4-dithio-erythritol

: 138-59-0
shikimic acid

: 35661-39-3
N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine

: (1R,2S,3S,4S,5R)-2-[4-(2-Fluoro-benzylsulfanyl)-2,3-dihydroxy-butylsulfanyl]-3,4,5-trihydroxy-cyclohexanecarboxylic acid ((S)-1-carbamoyl-ethyl)-amide

Conditions

Conditions	Yield
Multistep reaction;

...Expand

: 446-48-0
o-fluorobenzyl bromide

: 6892-68-8
1,4-dithio-erythritol

: 138-59-0
shikimic acid

: 71989-14-5
Fmoc-(tBu)Asp-OH

: (S)-3-({(1R,2S,3S,4S,5R)-2-[4-(2-Fluoro-benzylsulfanyl)-2,3-dihydroxy-butylsulfanyl]-3,4,5-trihydroxy-cyclohexanecarbonyl}-amino)-succinamic acid

Conditions

Conditions	Yield
Multistep reaction;

...Expand

: 446-48-0
o-fluorobenzyl bromide

: 6892-68-8
1,4-dithio-erythritol

: 138-59-0
shikimic acid

: 71989-18-9
Fmoc-Glu(OtBu)-OH

: (S)-4-Carbamoyl-4-({(1R,2S,3S,4S,5R)-2-[4-(2-fluoro-benzylsulfanyl)-2,3-dihydroxy-butylsulfanyl]-3,4,5-trihydroxy-cyclohexanecarbonyl}-amino)-butyric acid

Conditions

Conditions	Yield
Multistep reaction;

...Expand

: 6892-68-8
1,4-dithio-erythritol

: 111-83-1
1-bromo-octane

: 138-59-0
shikimic acid

: 35661-39-3
N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine

: (1R,2S,3S,4S,5R)-2-(2,3-Dihydroxy-4-octylsulfanyl-butylsulfanyl)-3,4,5-trihydroxy-cyclohexanecarboxylic acid ((S)-1-carbamoyl-ethyl)-amide

Conditions

Conditions	Yield
Multistep reaction;

...Expand

: 6892-68-8
1,4-dithio-erythritol

: 111-83-1
1-bromo-octane

: 138-59-0
shikimic acid

: 71989-14-5
Fmoc-(tBu)Asp-OH

: (S)-3-{[(1R,2S,3S,4S,5R)-2-(2,3-Dihydroxy-4-octylsulfanyl-butylsulfanyl)-3,4,5-trihydroxy-cyclohexanecarbonyl]-amino}-succinamic acid

Conditions

Conditions	Yield
Multistep reaction;

...Expand

: 6892-68-8
1,4-dithio-erythritol

: 111-83-1
1-bromo-octane

: 138-59-0
shikimic acid

: 71989-18-9
Fmoc-Glu(OtBu)-OH

: (S)-4-Carbamoyl-4-{[(1R,2S,3S,4S,5R)-2-(2,3-dihydroxy-4-octylsulfanyl-butylsulfanyl)-3,4,5-trihydroxy-cyclohexanecarbonyl]-amino}-butyric acid

Conditions

Conditions	Yield
Multistep reaction;

...Expand

: 6892-68-8
1,4-dithio-erythritol

: 5292-43-3
bromoacetic acid tert-butyl ester

: 138-59-0
shikimic acid

: 35661-39-3
N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine

: {4-[(1S,2S,3S,4R,6R)-6-((S)-1-Carbamoyl-ethylcarbamoyl)-2,3,4-trihydroxy-cyclohexylsulfanyl]-2,3-dihydroxy-butylsulfanyl}-acetic acid tert-butyl ester

Conditions

Conditions	Yield
Multistep reaction;

...Expand

Dithioerythritol Consensus Reports

Reported in EPA TSCA Inventory.

Dithioerythritol Specification

The Dithioerythritol , with cas registry number of 6892-68-8, belongs to the categories of Pharmaceutical Intermediates; Antioxidant; Biochemistry; Erythrose; O-Substituted Sugars; Sugar Alcohols; Sugars. Its BRN registry number is 1719756. Its IUPAC name is called 1,4-bis(sulfanyl)butane-2,3-diol . Its systematic name is named as 1,4-disulfanylbutane-2,3-diol .

Physical properties about this chemical are: (1) ACD/LogP: 0.07 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 0.07 ; (4) ACD/LogD (pH 7.4): 0.06 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 25.89 ; (8) ACD/KOC (pH 7.4): 25.59 ; (9) #H bond acceptors: 2 ; (10) #H bond donors: 2 ; (11) #Freely Rotating Bonds: 7 ; (12) Index of Refraction: 1.579 ; (13) Molar Refractivity: 39.36 cm³ ; (14) Molar Volume: 118.4 cm³ ; (15) Surface Tension: 55.5 dyne/cm; (16) Density: 1.302 g/cm³ ; (17) Flash Point: 174.2 °C ; (18) Enthalpy of Vaporization: 70.67 kJ/mol ; (19) Boiling Point: 364.5 °C at 760 mmHg ; (20) Vapour Pressure: 8.68E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is sensitive to air. It is a poison by intramuscular route. When heated to decomposition, it emits acrid smoke and irritating vapors. It is irritating to eyes, respiratory system and skin and harmful if swallowed. Wear suitable protective clothing, suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. After use it, store at the temperature of 2-8°C.

You can still convert the following datas into molecular structure:
(1)SMILES:SCC(O)C(O)CS;
(2)InChI:InChI=1/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2 ;
(3)InChIKey:VHJLVAABSRFDPM-UHFFFAOYAZ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intramuscular	309mg/kg (309mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of Pharmacy and Pharmacology. Vol. 1, Pg. 576, 1949.

Product Name

Dithioerythritol

Synthetic route

Dithioerythritol Consensus Reports

Dithioerythritol Specification

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