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| Name |
p-Dithiane-2,5-diol |
EINECS | 254-751-6 |
| CAS No. | 40018-26-6 | Density | 1.531 g/cm3 |
| PSA | 91.06000 | LogP | 0.10320 |
| Solubility | 3.9 g/L (20 °C) in water | Melting Point |
130 °C (dec.)(lit.) |
| Formula | C4H8O2S2 | Boiling Point | 360.9 °C at 760 mmHg |
| Molecular Weight | 152.238 | Flash Point | 175.5 °C |
| Transport Information | UN2811 | Appearance | white to light yellow crystalline powder |
| Safety | 26-36/37/39-61-37/39-24-36 | Risk Codes | 22-41-43-52/53-36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xn,  Xi
|
| Synonyms |
2,5-Dihydroxy-1,4-dithiane; |
p-Dithiane-2,5-diol Synthetic route
- 107-20-0
2-chloroethanal
- 40018-26-6
1,4-dithiane-2,5-diol
| Conditions | Yield |
|---|---|
| With sodium hydrogensulfide; water | |
| With sodium hydroxide; hydrogen sulfide |
- 408533-52-8
2,5-diethoxy-[1,4]dithiane
- 40018-26-6
1,4-dithiane-2,5-diol
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 53608-94-9
2,2-diethoxy-ethanethiol
- 40018-26-6
1,4-dithiane-2,5-diol
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 35350-46-0
2,2-dimethyl-1,3oxathiolan-5-one
A
- 40018-26-6
1,4-dithiane-2,5-diol
| Conditions | Yield |
|---|---|
| With diisobutylaluminium hydride In toluene at -78℃; for 2h; |
- 40018-26-6
1,4-dithiane-2,5-diol
- 660428-50-2
methyl 2-diethylphosphono-4-methyl-2-pentenoate
- 112177-95-4
2-Isopropyl-2,5-dihydro-thiophene-3-carboxylic acid methyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane Heating; | 100% |
- 40018-26-6
1,4-dithiane-2,5-diol
- 614-16-4
Benzoylacetonitrile
- 21582-44-5
(2-amino-thien-3-yl)phenylmethanone
| Conditions | Yield |
|---|---|
| With triethylamine In 2,2,2-trifluoroethanol at 60℃; for 6.5h; Gewald Aminoheterocycles Synthesis; Microwave irradiation; | 100% |
| Stage #1: 1,4-dithiane-2,5-diol; Benzoylacetonitrile In ethanol at 20℃; for 0.166667h; Stage #2: With N-methylpiperazine-functionalized Polyacrylonitrile Fiber In ethanol for 5h; Gewald Aminoheterocycles Synthesis; Reflux; | 83% |
| With diethylamine In ethanol at 50℃; for 4h; | 64% |
- 40018-26-6
1,4-dithiane-2,5-diol
- 107-91-5
cyanoacetic acid amide
- 14080-51-4
2-aminothiophene-3-carboxamide
| Conditions | Yield |
|---|---|
| With triethylamine In ethanol at 68℃; for 12h; Gewald Aminoheterocycles Synthesis; Inert atmosphere; | 100% |
| With triethylamine In ethanol at 20℃; for 2.08333h; Heating / reflux; | 88% |
| Stage #1: 1,4-dithiane-2,5-diol; cyanoacetic acid amide In ethanol at 20℃; for 0.166667h; Stage #2: With N-methylpiperazine-functionalized Polyacrylonitrile Fiber In ethanol for 4h; Gewald Aminoheterocycles Synthesis; Reflux; | 87% |
- 40018-26-6
1,4-dithiane-2,5-diol
- 111969-64-3
L-menthol glyoxylate monohydrate
- 200396-19-6
(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 5-hydroxy-1,3-oxathiolane-2-carboxylate
| Conditions | Yield |
|---|---|
| Stage #1: L-menthyl glyoxylate monohydrate With acetic acid In toluene at 110 - 115℃; Stage #2: 1,4-dithiane-2,5-diol In toluene Heating; | 100% |
| Stage #1: 1,4-dithiane-2,5-diol With acetic acid In acetonitrile at 40 - 45℃; for 0.166667h; Stage #2: L-menthyl glyoxylate monohydrate In acetonitrile at 90℃; for 0.166667h; | 88% |
| Stage #1: L-menthyl glyoxylate monohydrate With acetic acid In toluene at 110 - 111℃; for 3h; Stage #2: 1,4-dithiane-2,5-diol In toluene at 85 - 90℃; for 2h; Stage #3: With triethylamine In n-heptane at 0 - 5℃; for 6h; | 80% |
| Stage #1: L-menthyl glyoxylate monohydrate With acetic acid In toluene at 120℃; for 2h; Dean-Stark; Stage #2: 1,4-dithiane-2,5-diol In toluene for 4h; Reflux; Stage #3: With triethylamine In hexane; toluene at 0℃; for 16h; |
- 40018-26-6
1,4-dithiane-2,5-diol
- 78-96-6, 1674-56-2
3-amino-2-propanol
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In ethanol at 20℃; Reflux; Inert atmosphere; | 100% |
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In ethanol for 2h; Reagent/catalyst; Reflux; | 100% |
p-Dithiane-2,5-diol Chemical Properties
Molecular structure of p-Dithiane-2,5-diol (CAS NO.40018-26-6) is:
Product Name: p-Dithiane-2,5-diol
CAS Registry Number: 40018-26-6
IUPAC Name: 1,4-dithiane-2,5-diol
Molecular Weight: 152.23512 [g/mol]
Molecular Formula: C4H8O2S2
XLogP3-AA: 0.3
H-Bond Donor: 2
H-Bond Acceptor: 2
EINECS: 254-751-6
Melting Point: 130 °C (dec.)(lit.)
Surface Tension: 67.3 dyne/cm
Density: 1.531 g/cm3
Flash Point: 175.5 °C
Enthalpy of Vaporization: 70.22 kJ/mol
Boiling Point: 360.9 °C at 760 mmHg
Vapour Pressure: 1.15E-06 mmHg at 25 °C
Water Solubility: 3.9 g/L (20 °C )
Product Categories: Heterocyclic Compounds; aldehyde Flavor
p-Dithiane-2,5-diol Safety Profile
Safty information about p-Dithiane-2,5-diol (CAS NO.40018-26-6) is:
Hazard Codes: 
Xn,Xi
Risk Statements: 22-41-43-52/53-36/37/38
R22:Harmful if swallowed.
R41:Risk of serious damage to the eyes.
R43:May cause sensitization by skin contact.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-61-37/39-24-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S37/39:Wear suitable gloves and eye/face protection.
S24:Avoid contact with skin.
S36:Wear suitable protective clothing.
RIDADR: UN2811
WGK Germany: 2
F: 1-8-10-13
HazardClass: 6.1
PackingGroup: III
HS Code: 29349990
p-Dithiane-2,5-diol Specification
p-Dithiane-2,5-diol , its cas register number is 40018-26-6. It also can be called p-Dithiane-2,5-diol ; 1,4-Dithiane-2,5-diol ; 4-Dithiane-2,5-diol .It is a white to yellowish crystalline powder.
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