ChemicalBook--->CAS DataBase List--->59854-12-5

59854-12-5

59854-12-5 Structure

59854-12-5 Structure
IdentificationBack Directory
[Name]

TERT-BUTYL 4-HYDROXYBUTYRATE
[CAS]

59854-12-5
[Synonyms]

tert-butyl 4-hydroxybutanoate
4-Hydroxy-butyric acid tert-butyl ester
2-(2-hydroxyethyl)-3,3-dimethylbutanoate
Butanoic acid, 4-hydroxy-, 1,1-diMethylethyl ester
[Molecular Formula]

C8H16O3
[MDL Number]

MFCD02684391
[MOL File]

59854-12-5.mol
[Molecular Weight]

160.21
Chemical PropertiesBack Directory
[Boiling point ]

73-74 °C(Press: 2.0-3.0 Torr)
[density ]

0.976 g/mL at 20 °C
[refractive index ]

n20/D 1.431
[Fp ]

>70℃
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), Methanol (Slightly), Water (Slightly)
[form ]

Oil
[pka]

14.86±0.10(Predicted)
[color ]

Colourless to Pale Yellow
[InChI]

InChI=1S/C8H16O3/c1-8(2,3)11-7(10)5-4-6-9/h9H,4-6H2,1-3H3
[InChIKey]

RXGFTUPFXKYRMW-UHFFFAOYSA-N
[SMILES]

C(OC(C)(C)C)(=O)CCCO
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

3
[HS Code ]

2915601990
Hazard InformationBack Directory
[Uses]

tert-Butyl 4-Hydroxybutanoate is used as a reagent in the synthesis of theranostic vitamin-linker-taxoid conjugates. tert-Butyl 4-Hydroxybutanoate is also used as a reagent in the synthesis of teroxazoles as α-helix mimetics.
Spectrum DetailBack Directory
[Spectrum Detail]

TERT-BUTYL 4-HYDROXYBUTYRATE(59854-12-5)1HNMR
TERT-BUTYL 4-HYDROXYBUTYRATE(59854-12-5)FT-IR
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