1,4-Dioxan-2,5-dione

Name: 1,4-Dioxan-2,5-dione
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Molecular Formula:

C4H4O4

Molecular Weight:

116.07

CAS Number:

502-97-6

Catalog Number:

502-97-6

Product Information

Molecular Formula:

C4H4O4

Molecular Weight:

116.07

Description

Synthesis of biodegradable homo- and copolymers

Synonyms

2,5-dioxo-1,4-dioxane; Acetic acid, hydroxy-, bimol. cyclic ester; Glycollide; p-Dioxane-2,5-dione; GLYCOLIDE; GLYCOLIDE A

IUPAC Name

1,4-dioxane-2,5-dione

Canonical SMILES

C1C(=O)OCC(=O)O1

InChI

InChI=1S/C4H4O4/c5-3-1-7-4(6)2-8-3/h1-2H2

InChI Key

RKDVKSZUMVYZHH-UHFFFAOYSA-N

Boiling Point

322.5°C at 760 mmHg

Melting Point

81-83°C

Purity

95%

Density

1.423 g/cm3

Appearance

white crystalline solid

Storage

-20°C

Refractive Index

1.4500 (estimate)

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

-0.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

116.01095860 g/mol

Monoisotopic Mass

116.01095860 g/mol

Topological Polar Surface Area

52.6Å²

Heavy Atom Count

Formal Charge

Complexity

112

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-113827783-A	Preparation method of highly oriented composite material for artificial bone	2021-03-02
CN-112280026-A	Semi-aromatic polyester and preparation method and application thereof	2020-12-31
CN-112280026-B	Semi-aromatic polyester and preparation method and application thereof	2020-12-31
CN-112456917-A	High-durability concrete and preparation method thereof	2020-12-09
EP-3932986-A1	A thermoplastic composition having improved mechanical properties	2020-07-03
WO-2022003170-A1	A thermoplastic composition having improved mechanical properties	2020-07-03
JP-2021172738-A	Resin composition, emitter, and drip irrigation tube	2020-04-24
WO-2021215250-A1	Resin composition, emitter, and tube for drip irrigation	2020-04-24
WO-2021216807-A1	Biodegradable copolymers and nanofibrous scaffold thereof	2020-04-23
WO-2021204783-A1	Compositions based on silane-functional polymers having enhanced overpaintability	2020-04-08

Literatures

PMID	Publication Date	Title	Journal
20602152	2010-09-01	Hydrophilic polyester microspheres: effect of molecular weight and copolymer composition on release of BSA	Pharmaceutical research
20690705	2010-08-09	Organo-catalyzed ring opening polymerization of a 1,4-dioxane-2,5-dione deriving from glutamic acid	Biomacromolecules