ChemicalBook--->CAS DataBase List--->4845-50-5

4845-50-5

4845-50-5 Structure

4845-50-5 Structure
IdentificationMore
[Name]

1,4-DIOXANE-2,3-DIOL
[CAS]

4845-50-5
[Synonyms]

1,4-DIOXANE-2,3-DIOL
2,3-DIHYDROXY-1,4-DIOXANE
GLYOXAL MONOETHYLENE ACETAL
TRANS-2,3-DIHYDROXY-1,4-DIOXANE
2,3-Dihydroxy-1,4-dioxane~Glyoxal monoethylene acetal
Dioxanediol
trans-1,4-Dioxane-2,3-diol
1,4-Dioxane-2,3-diol,97%
1,4-Dioxan-2,3-diol
trans-2,3-Dihydroxy-1,4-dioxane, Glyoxal monoethylene acetal
[EINECS(EC#)]

225-431-3
[Molecular Formula]

C4H8O4
[MDL Number]

MFCD00006572
[Molecular Weight]

120.1
[MOL File]

4845-50-5.mol
Chemical PropertiesBack Directory
[Melting point ]

91-95 °C(lit.)
[Boiling point ]

259.4±40.0 °C(Predicted)
[density ]

1.455±0.06 g/cm3(Predicted)
[form ]

Powder or Crystalline Powder
[pka]

11.72±0.40(Predicted)
[color ]

White to off-white
[Water Solubility ]

It is soluble in water.
[BRN ]

104209
[InChI]

InChI=1S/C4H8O4/c5-3-4(6)8-2-1-7-3/h3-6H,1-2H2
[InChIKey]

YLVACWCCJCZITJ-UHFFFAOYSA-N
[SMILES]

O1CCOC(O)C1O
[CAS DataBase Reference]

4845-50-5(CAS DataBase Reference)
[EPA Substance Registry System]

1,4-Dioxane-2,3-diol (4845-50-5)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36:Irritating to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[WGK Germany ]

1
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HS Code ]

2932990090
Hazard InformationBack Directory
[Uses]

1,4-Dioxane-2,3-diol is used as a pharmaceutical intermediate and an intermediate in organic synthesis.
[Purification Methods]

Recrystallise it from Me2CO. With phenylhydrazine it gives glyoxal phenylhydrazone m 175o (from Me2CO/pet ether). The diacetyl derivative has m 105-106o [Head J Chem Soc 1036 1955, Raudnitz Chem Ind (London) 166 1956]. [Beilstein 1 IV 3627.]
Spectrum DetailBack Directory
[Spectrum Detail]

1,4-DIOXANE-2,3-DIOL(4845-50-5)MS
1,4-DIOXANE-2,3-DIOL(4845-50-5)1HNMR
1,4-DIOXANE-2,3-DIOL(4845-50-5)IR1
1,4-DIOXANE-2,3-DIOL(4845-50-5)IR2
1,4-DIOXANE-2,3-DIOL(4845-50-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1,4-Dioxane-2,3-diol, 97%(4845-50-5)
[Sigma Aldrich]

4845-50-5(sigmaaldrich)
[TCI AMERICA]

1,4-Dioxane-2,3-diol,>96.0%(GC)(4845-50-5)
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