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Cas Database |
| Name |
2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol |
EINECS | 202-494-5 |
| CAS No. | 62147-49-3 | Density | 1.546 g/cm3 |
| PSA | 99.38000 | LogP | -2.60500 |
| Solubility | Soluble in ethanol, ethyl ether, acetone. Slightly soluble in water. Insoluble in ligroin. | Melting Point |
70.00 - 80.00 ºC |
| Formula | C6H12 O6 | Boiling Point | 448 °C at 760 mmHg |
| Molecular Weight | 180.158 | Flash Point | 224.7 °C |
| Transport Information | N/A | Appearance | white to off-white crystalline powder |
| Safety | 26-36 | Risk Codes | R36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
|
| Synonyms |
1,4-Dioxane-2,5-dimethanol,2,5-dihydroxy-, trans- |
Article Data | 4 |
2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol Synthetic route
- 56-81-5
glycerol
- 62147-49-3
1,3-dihydroxyacetone dimer
| Conditions | Yield |
|---|---|
| With C32H30N4O4Pd2(2+); p-benzoquinone In water; acetonitrile at 23℃; for 4h; | 58% |
| Conditions | Yield |
|---|---|
| With triethylamine; thiazolium salt In N,N-dimethyl-formamide at 100℃; Mechanism; Product distribution; influence of amount of paraformaldehyde, paraformaldehyde:catalyst ratio, reaction temperature and time, other amine bases; |
| Conditions | Yield |
|---|---|
| With triethylamine; 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride In N,N-dimethyl-formamide at 100℃; Further byproducts given; |
- 50-00-0
formaldehyd
A
- 62147-49-3
1,3-dihydroxyacetone dimer
| Conditions | Yield |
|---|---|
| With triethylamine; 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride In N,N-dimethyl-formamide at 100℃; Further byproducts given; |
- 50-00-0
formaldehyd
A
- 62147-49-3
1,3-dihydroxyacetone dimer
| Conditions | Yield |
|---|---|
| With triethylamine; 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride In N,N-dimethyl-formamide at 100℃; Further byproducts given; |
- 50-00-0
formaldehyd
A
- 62147-49-3
1,3-dihydroxyacetone dimer
| Conditions | Yield |
|---|---|
| With triethylamine; 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride In N,N-dimethyl-formamide at 100℃; Further byproducts given; |
- 50-00-0
formaldehyd
A
- 62147-49-3
1,3-dihydroxyacetone dimer
| Conditions | Yield |
|---|---|
| With triethylamine; 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride In N,N-dimethyl-formamide at 100℃; Further byproducts given; |
| Conditions | Yield |
|---|---|
| With triethylamine; 3-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride In N,N-dimethyl-formamide at 60℃; for 1h; Further byproducts given; |
| Conditions | Yield |
|---|---|
| With niobium(V) oxide at 20℃; for 2h; Reagent/catalyst; |
| Conditions | Yield |
|---|---|
| With erbium(III) oxide at 20℃; for 2h; |
2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol Chemical Properties
IUPAC Name: 2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
Empirical Formula: C6H12O6
Molecular Weight: 180.1559g/mol
EINECS: 202-494-5
Structure of 1,4-Dioxane-2,5-dimethanol,2,5-dihydroxy-, (2R,5S)-rel- (CAS NO.62147-49-3):
Index of Refraction: 1.549
Molar Refractivity: 37.1 cm3
Molar Volume: 116.5 cm3
Polarizability: 14.71×10-24cm3
Surface Tension: 84.9 dyne/cm
Density: 1.546 g/cm3
Flash Point: 224.7 °C
Enthalpy of Vaporization: 81.51 kJ/mol
Melting Point: 75-80 °C(lit.)
Boiling Point: 448 °C at 760 mmHg
Vapour Pressure: 6.59E-10 mmHg at 25°C
Sensitive: Hygroscopic
Stability: Stable. Incompatible with strong oxidizing agents. Protect from moisture.
Physical Appearance: Off-whitepowde
Product Categories: Dioxanes;Dioxanes & Dioxolanes
Canonical SMILES: C1C(OCC(O1)(CO)O)(CO)O
InChI: InChI=1S/C6H12O6/c7-1-5(9)3-12-6(10,2-8)4-11-5/h7-10H,1-4H2
InChIKey: KEQUNHIAUQQPAC-UHFFFAOYSA-N
2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: UC1645000
2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol Specification
1,4-Dioxane-2,5-dimethanol,2,5-dihydroxy-, (2R,5S)-rel- , its cas register number is 62147-49-3. It also can be called 1,3-Dihydroxyacetone Dimer ; 2,5-Bis(hydroxymethyl)-1,4-dioxane-2,5-diol ; 2,5-Dihydroxy-1,4-dioxane-2,5-dimethanol ; 2,5-Dihydroxydioxane-2,5-dimethanol . 1,4-Dioxane-2,5-dimethanol,2,5-dihydroxy-, (2R,5S)-rel- (CAS NO.62147-49-3) is irritating to eyes, respiratory system and skin.
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