3,6-Dioxaoctandioic acid

HCID 90039

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Basic information

CAS: 23243-68-7
Standard SMILES: O=C(O)COCCOCC(=O)O
InChIKey: CQWXKASOCUAEOW-UHFFFAOYSA-N
Molecular formula: C6H10O6
Average molar mass: 178.14 g/mol
Monoisotopic mass: 178.04773804

Names & identifiers

Preferred name: 3,6-Dioxaoctandioic acid
IUPAC: 2,2'-[Ethane-1,2-diylbis(oxy)]diacetic acid
English name: 3,6-DIOXAOCTANEDIOIC ACID
Molecular formula: C6H10O6
Molecular weight: 178.14

Names & synonyms

2,2'-(Ethane-1,2-diylbis(oxy))diacetic acidDOODAPEG2-(CH2CO2H)23,6-Dioxasuberic acidHOOCCH2O-PEG1-CH2COOH3, 6-dioxyoctaneic acid3,6-dioxoctanedioic acid3,6-Dioxaoctandioic acid3,6-DIOXAOCTANEDIOIC ACID3,6-Dioxaoctanedioic acid CAS

Database identifiers

CAS: 23243-68-7
PubChem CID: 90039
DTXSID: DTXSID50177817
UNII: 2ZVS8WS40O
EC Number: 245-516-9
Nikkaji: J318.433A

Properties

Physicochemical properties

Melting point: 68 · 68-71℃
Boiling point: 429.2 · 429.2±25.0 °C(Predicted)
Density: 1.375 · 1.375
vapor pressure: 0 Pa · 0Pa at 20℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 3.09 · 3.09±0.10(Predicted)
form: solid
color: White to off-white
InChI: InChI=1S/C6H10O6/c7-5(8)3-11-1-2-12-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKey: CQWXKASOCUAEOW-UHFFFAOYSA-N
SMILES: C(OCC(O)=O)COCC(O)=O
LogP: -2.29 at · -2.29 at 25℃
FDA UNII: 2 ZVS8WS40O · 2ZVS8WS40O
UNSPSC Code: 12352301 · 12352301
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H332-H315-H319-H335
Precautionary statements: 260 · P260-P280-P312
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45-27-22
RIDADR: 3261 · 3261
WGK Germany: 1 · WGK 1
HazardClass: 8 · 8
PackingGroup: III
HS Code: 2917198090 · 2917198090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 1 · Eye Dam. 1
REACH Registrations: Inactive

Safety & regulation

Safety data

wgk: WGK 1
ridadr: 3261
hs_code: 2917198090
risk_code: 34
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: C
safety_code: 26-36/37/39-45-27-22
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H302+H332-H315-H319-H335
REACH Registrations: Inactive
Hazard Classifications: Eye Dam. 1
Precautionary statements: P260-P280-P312

Chemistry & industry

Applications · 4 items

Uses3,6-Dioxaoctanedioic Acid (cas# 23243-68-7) is a useful research chemical.

DescriptionPEG2-(CH2CO2H)2 is a PEG linker containing two terminal carboxylic acid groups. The hydrophilic PEG spacer increases solubility in aqueous media. The terminal carboxylic acids can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond.

Uses3,6-Dioxaoctanedioic Acid is a useful reagent for the preparation of degradation agents for cyclin dependent kinase.

Uses3,6-Dioxaoctanedioic acid can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.