1,4-DIOXANE-2,3-DIOL
Product Information
Molecular Formula
C4H8O4
Molecular Weight
120.1
Description
1,4-Dioxane-2,3-diol is an organic chemical small molecule. This compound is inherently cytotoxic and can prevent the growth of malignant cells and is therefore used in anti-cancer drug development.
Synonyms
TRANS-2,3-DIHYDROXY-1,4-DIOXANE; 1,4-DIOXANE-2,3-DIOL; 2,3-DIHYDROXY-1,4-DIOXANE; GLYOXAL MONOETHYLENE ACETAL; 2,3-Dihydroxy-1,4-dioxane~Glyoxal monoethylene acetal; Dioxanediol; trans-1,4-Dioxane-2,3-diol; 1,4-Dioxane-2,3-diol,97%
IUPAC Name
1,4-dioxane-2,3-diol
SMILES
C1COC(C(O1)O)O
InChI
InChI=1S/C4H8O4/c5-3-4(6)8-2-1-7-3/h3-6H,1-2H2
InChI Key
YLVACWCCJCZITJ-UHFFFAOYSA-N
Melting Point
91-95 °C (lit.)
Flash Point
Not applicable
Purity
>96.0%(GC)
Density
1.455 g/cm3
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
XLogP3
-1.3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
120.04225873 g/mol
Monoisotopic Mass
120.04225873 g/mol
Topological Polar Surface Area
58.9Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
64.4
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-113914116-A | High-temperature direct-injection disperse dye ink and preparation method and application thereof | 2021-11-12 |
| CN-113831511-A | Polymer containing dithiophene [3,2-f:2',3' -h ] quinoxaline and preparation method and application thereof | 2021-09-08 |
| DE-102020124314-A1 | Biodegradable adhesive composition | 2020-09-17 |
| WO-2022034204-A1 | Process for the preparation of quaternized pyridazine derivatives | 2020-08-14 |
| CN-111749031-A | Acid blue dye ink for digital printing | 2020-08-04 |
| CN-111793991-A | Disperse red dye ink for digital printing and preparation method thereof | 2020-08-04 |
| CN-111749030-A | Reactive yellow dye ink for digital printing | 2020-08-03 |
| JP-2022015484-A | Active energy ray-curable composition, cured product, lens and camera module | 2020-07-09 |
| CN-111607075-A | High-pressure-resistant poached and acidic-salt-fog-resistant polyester resin for powder and preparation method thereof | 2020-07-07 |
| CN-111549545-A | Disperse dye ink for digital printing and preparation method thereof | 2020-06-25 |
