1,4-Dioxane-2,6-dione
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Basic information
- CAS
4480-83-5- Standard SMILES
O=C1COCC(=O)O1- InChIKey
PIYNUZCGMLCXKJ-UHFFFAOYSA-N- Molecular formula
- C4H4O4
- Average molar mass
- 116.07 g/mol
- Monoisotopic mass
- 116.01095861
Names & identifiers
- Preferred name
- 1,4-Dioxane-2,6-dione
- IUPAC
- 1,4-dioxane-2,6-dione
- English name
- Diglycolic anhydride
- Molecular formula
- C4H4O4
- Molecular weight
- 116.07
Names & synonyms
Diglycolic anhydride1,4-Dioxane-2,6-dionep-Dioxane-2,6-dioneDiglycolic acid anhydrideOxydiacetic anhydrideRKE2JJ6VPJAcetic acid, 2,2'-oxybis-, cyclic anhydrideEINECS 224-761-5Acetic acid, oxydi-, cyclic anhydrideDTXSID90196305RefChem:73333DTXCID60118796
Show more names
4-Maleimidobutyric acid hydrazide hydrochlorideSKL267digylcolic anhydride1,4-DIOXINE-2,6-DIONEDiglycolicAnhydride>Diglycolicanhydride,95%
PIYNUZCGMLCXKJ-UHFFFAOYSA-N4480-83-5DiglycolicanhydrideMFCD00006677D2308EN300-18598D900412-Pyridineacetic Aci
Database identifiers
- CAS
4480-83-5- PubChem CID
- 78232
- DTXSID
DTXSID90196305- UNII
- RKE2JJ6VPJ
- EC Number
- 224-761-5
- Nikkaji
- J101.033F
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 114
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 92 · 92-93 °C (lit.)
- Boiling point
- 240 · 240-241 °C (lit.)
- Density
- 1.423 · 1.4230
- refractive index
- 1.58 · 1.5800 (estimate)
- Flash point
- 240 · 240-241°C
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Soluble in chloroform.
- form
- Crystalline Powder, Crystals or Needles
- color
- White to pale cream
- Sensitive
- Moisture Sensitive
- BRN
- 112527 · 112527
- Stability
- Hygroscopic, Moisture Sensitive
- InChI
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10-21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- 2923
- hs_code
- 29189090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-24/25
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
Chemistry & industry
Applications
UsesDiglycolic anhydride is used in the preparation of N,N-diethyldiglycollamsaeure by reacting with diethylamine. It is an useful bio chemical for proteomics research.
Upstream & downstream products
Downstream products
Related reactions
112 records
Compound notes
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