1,4-Dioxane-2,6-dione (HCID 78232)

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 properties

XLogP: -0.4
Topological polar surface area: 52.6 Å²
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: 1S/C4H4O4/c5-3-1-7-2-4(6)8-3/h1-2H2
InChIKey: PIYNUZCGMLCXKJ-UHFFFAOYSA-N
SMILES: O=C1COCC(=O)O1
CAS DataBase Reference: 4480 · 4480-83-5(CAS DataBase Reference)
FDA UNII: 2 JJ6VPJ · RKE2JJ6VPJ
NIST Chemistry Reference: 1 · 1,4-Dioxane-2,6-dione(4480-83-5)
UNSPSC Code: 12352115 · 12352115
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-24/25
RIDADR: 2923 · 2923
WGK Germany: 3 · 3
F: 10 · 10-21
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29189090 · 29189090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

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: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

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.