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Dithioerythritol

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Name

Dithioerythritol

EINECS 229-998-8
CAS No. 6892-68-8 Density 1.303 g/cm3
PSA 118.06000 LogP -0.43220
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 N/A Appearance White solid
Safety 26-37/39 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 6892-68-8 (Dithioerythritol) Hazard Symbols HarmfulXn
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;

Article Data 17

Dithioerythritol Synthetic route

2,3-diacetylthiomethyl ethylene oxide

6892-68-8

1,4-dithio-erythritol

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

C4H10O8S2

6892-68-8

1,4-dithio-erythritol

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With hydrogenchloride
930-22-3

epoxybutene

A

6892-68-8

1,4-dithio-erythritol

27565-41-9

1,4-dithio-D,L-threitol

Conditions
ConditionsYield
With sodium hydroxide; water In methanol; water at 20 - 35℃; under 4500.45 Torr; for 14h;
6892-68-8

1,4-dithio-erythritol

40227-25-6

cis-4,5-dihydroxy-1,2-dithiane

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With sodium bicarbonate; triethylamine; citric acid In N-methyl-acetamide; chloroform; nitrogen; water67%

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.

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