ChemicalBook--->CAS DataBase List--->23243-68-7

23243-68-7

23243-68-7 Structure

23243-68-7 Structure
IdentificationBack Directory
[Name]

3,6-DIOXAOCTANEDIOIC ACID
[CAS]

23243-68-7
[Synonyms]

DOODA
PEG2-(CH2CO2H)2
3,6-Dioxasuberic acid
HOOCCH2O-PEG1-CH2COOH
3,6-dioxoctanedioic acid
3,6-Dioxaoctandioic acid
(Ethylenebisoxy)diacetic acid
3,6-Dioxaoctanedioic acid CAS
1,2-Bis(carboxymethoxy)ethane
3,6-Dioxaoctane-1,8-dioic acid
3,6-dioxa-1,8-octanedioic acid
2,2'-(Ethylenebisoxy)diacetic acid
2,2′-(Ethylenbis(oxy))bisessigsure
(2-CARBOXYMETHOXYETHOXY)ACETIC ACID
2,2'-[ethylenebis(oxy)]bisacetic acid
2,5-Dioxa-1,6-hexanedicarboxylic acid
2-[2-(carboxymethoxy)ethoxy]aceticaci
2-[2-(Carboxymethyloxy)ethoxy]acetic acid
2,2'-[1,2-Ethanediylbis(oxy)]diacetic acid
2,2'-(Ethane-1,2-diylbis(oxy))diacetic acid
Acetic acid, 2,2‘-[1,2-ethanediylbis(oxy)]bis-
2,2'-[ethylenebis(oxy)] bisacetic acid for synthesis
Acetic acid, 2,2'-[1,2-ethanediylbis(oxy)]bis- (Triglycolic acid)
[EINECS(EC#)]

245-516-9
[Molecular Formula]

C6H10O6
[MDL Number]

MFCD00054502
[MOL File]

23243-68-7.mol
[Molecular Weight]

178.14
Questions And AnswerBack Directory
[Uses]

3,6-Dioxaoctanedioic Acid (cas# 23243-68-7) is a useful research chemical.
Chemical PropertiesBack Directory
[Melting point ]

68-71℃
[Boiling point ]

429.2±25.0 °C(Predicted)
[density ]

1.375
[vapor pressure ]

0Pa at 20℃
[storage temp. ]

Store below +30°C.
[form ]

solid
[pka]

3.09±0.10(Predicted)
[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 25℃
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H332-H315-H319-H335
[Precautionary statements ]

P260-P280-P312
[Hazard Codes ]

C
[Risk Statements ]

34
[Safety Statements ]

26-36/37/39-45-27-22
[RIDADR ]

3261
[WGK Germany ]

WGK 1
[REACH Registrations]

Inactive
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

2917198090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Dam. 1
Hazard InformationBack Directory
[Description]

PEG2-(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.
[Flammability and Explosibility]

Notclassified
[Synthesis]

Synthesis_23243-68-7
To 15 ml (0.33 mol) of nitric acid was added at 45??C while stirring 1 g of diethylene glycol from the overall amount of 5.9 g (0.06 mol), and the mixture was heated to 65??C. After the end of nitrogen oxides evolution and cooling the mixture to 45-50??C another portion of diethylene glycol was added. Overall time of the reagent addition to the reaction mixture was 1 h. The mixture was kept at 45??C for 40 min and then it was heated at 80??C for 30 min. The solvent was removed in a vacuum at 70??C, the residue was dried by azeotropic distillation with benzene using Dean-Stark trap, then the product was fi ltered off and recrystallized from acetone-benzene mixture. 3,6-Dioxaoctanedioic acid (VIII) was similarly obtained. Yield 7.3 g (89%), colorless crystals. Rf 0.20 (E), mp 76-77??C (mp 75-76??C [13]). IR spectrum, |í, cm-1: 3167 (OH), 2914 (CH), 1733 (C=O acid), 1410, 1229 (C-O), 1121 (C-O). Mass spectrum, m/z (Irel, %): 178.5 [M]+ (76), 200.9 (55), 216.8 (46).
[IC 50]

PEGs
[References]

[1] Patent: CN105669707, 2016, A. Location in patent: Paragraph 0018; 0019
Spectrum DetailBack Directory
[Spectrum Detail]

3,6-DIOXAOCTANEDIOIC ACID(23243-68-7)1HNMR
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