ChemicalBook--->CAS DataBase List--->13887-98-4

13887-98-4

13887-98-4 Structure

13887-98-4 Structure
IdentificationBack Directory
[Name]

3,6,9-TRIOXAUNDECANEDIOIC ACID
[CAS]

13887-98-4
[Synonyms]

TUDS
TUDA
CAS_13887-98-4
Einecs 237-655-9
Tetraglycolic acid
Bis-PEG3-acetic acid
CH2COOH-PEG2-CH2COOH
CH2COOH-PEG3-CH2COOH
HOOCCH2O-PEG2-CH2COOH
trioxaundecanedoicacid
COOH-CH2-PEG2-CH2-COOH
TRIOXAUNDECANEDIOIC ACID
3,6,9-Trioxaundecadioic acid
Diethylenetrioxydiacetic acid
3,6,9-Trioxaundecandioic acid
3,6,9-TRIOXAUNDECANEDIOIC ACID
O,O'-OXYDIETHYLENE-DIGLYCOLIC ACID
[Oxybis(ethyleneoxy)]diacetic acid
3,6,9-Trioxa-1,11-undecanedioic acid
[Oxybis(ethyleneoxy)]bis(acetic acid)
3,6,9-Trioxaundecanedioic acid (TUDS)
3,6,9-Trioxaundecanedioic acid technical
Diethylene glycol bis(carboxymethyl ether)
2,2′-(Oxybis(2,1-ethandiyloxy))bisessigsure
Acetic acid, (oxybis(2,1-ethanediyloxy))bis-
2,2'-[Oxybis(2,1-ethanediyloxy)]diacetic acid
2-(2-(Carboxymethoxy)ethoxy)ethoxyacetic acid
Acetic acid, 2,2-oxybis(2,1-ethanediyloxy)bis-
2,2'-[oxybis(2,1-ethanediyloxy)]bisacetic acid
[2-{2-(Carboxymethoxy)ethoxy}ethoxy]acetic acid
3,6,9-Trioxaundecanedioic acid technical, >=70% (T)
2,2'-((oxybis(ethane-2,1-diyl))bis(oxy))diacetic acid
2,2'-[Oxybis(2,1-ethanediyloxy)] bisacetic acid for synthesis
[EINECS(EC#)]

237-655-9
[Molecular Formula]

C8H14O7
[MDL Number]

MFCD00044099
[MOL File]

13887-98-4.mol
[Molecular Weight]

222.19
Chemical PropertiesBack Directory
[Boiling point ]

443.7±30.0 °C(Predicted)
[density ]

1.3 g/mL at 20 °C(lit.)
[vapor pressure ]

0Pa at 20℃
[refractive index ]

n20/D 1.470(lit.)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Soluble in Water, DMSO, DCM, DMF
[form ]

Solid-Liquid Mixture
[pka]

3.09±0.10(Predicted)
[color ]

Off-white to yellow
[PH]

1.8 (100g/l, H2O)
[BRN ]

1962084
[Cosmetics Ingredients Functions]

HUMECTANT
[InChI]

InChI=1S/C8H14O7/c9-7(10)5-14-3-1-13-2-4-15-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
[InChIKey]

HJZZQNLKBWJYPD-UHFFFAOYSA-N
[SMILES]

O(CCOCC(O)=O)CCOCC(O)=O
[LogP]

-2.56 at 25℃
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

41
[Safety Statements ]

26-39
[RIDADR ]

1760
[WGK Germany ]

1
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

III
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Dam. 1
Hazard InformationBack Directory
[Description]

PEG3-(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.
[Uses]

369-Trioxaundecanedioic Acid is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
[Flammability and Explosibility]

Notclassified
[reaction suitability]

reaction type: Pegylations
reagent type: cross-linking reagent
[IC 50]

PEGs
[References]

[1] An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562 DOI:10.1016/j.ebiom.2018.09.005
Spectrum DetailBack Directory
[Spectrum Detail]

3,6,9-TRIOXAUNDECANEDIOIC ACID(13887-98-4)1HNMR
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