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CAS No.: | 6892-68-8 |
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Name: | Dithioerythritol |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C4 H10O2S2 |
Molecular Weight: | 154.254 |
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; |
EINECS: | 229-998-8 |
Density: | 1.303 g/cm3 |
Melting Point: | 82-84 °C(lit.) |
Boiling Point: | 364.453 °C at 760 mmHg |
Flash Point: | 174.215 °C |
Solubility: | 10 mg/mL in water clear, colorless |
Appearance: | White solid |
Hazard Symbols: | Xn |
Risk Codes: | 36/37/38-22 |
Safety: | 26-37/39 |
PSA: | 118.06000 |
LogP: | -0.43220 |
1,4-dithio-erythritol
Conditions | Yield |
---|---|
With sodium hydroxide In water at 50℃; for 5h; Reagent/catalyst; | 83% |
1,4-dithio-erythritol
Conditions | Yield |
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With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 25℃; for 18h; | 79% |
cis-4,5-dihydroxy-1,2-dithiane
1,4-dithio-erythritol
Conditions | Yield |
---|---|
With tris-(2-carboxyethyl)-phosphine hydrochloride; potassium carbonate In methanol; chloroform; water at 20℃; for 6h; | 70% |
Dithiothreitoltetraacetat
1,4-dithio-erythritol
Conditions | Yield |
---|---|
With hydrogenchloride In methanol at 25℃; for 5h; Inert atmosphere; | 70% |
1,4-dithio-erythritol
Conditions | Yield |
---|---|
With hydrogenchloride |
epoxybutene
1,2:3,4-Diepoxybutane
A
1,4-dithio-erythritol
1,4-dithio-D,L-threitol
Conditions | Yield |
---|---|
With sodium hydroxide; water In methanol; water at 20 - 35℃; under 4500.45 Torr; for 14h; |
1,4-dithio-erythritol
cis-4,5-dihydroxy-1,2-dithiane
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; |
1,4-dithio-erythritol
bicyclopropylidene
Conditions | Yield |
---|---|
In benzene-d6 at 75℃; for 2h; in dark; | 99% |
1,4-dithio-erythritol
4-tert-butyl-2,6-bis[(2,2'',6,6''-tetramethyl-m-terphenyl-2'-yl)methyl]benzenesulfenic acid
Conditions | Yield |
---|---|
In dichloromethane Ambient temperature; | 81% |
((2-p-methoxybenzyloxycarbonyl)ethyl)disulfide
1,4-dithio-erythritol
6,7-dihydroxy-4-thiaheptanoic acid p-methoxybenzyl ester
Conditions | Yield |
---|---|
With sodium bicarbonate; triethylamine; citric acid In N-methyl-acetamide; chloroform; nitrogen; water | 67% |
Reported in EPA TSCA Inventory.
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. |