ChemicalBook--->CAS DataBase List--->40052-13-9

40052-13-9

40052-13-9 Structure

40052-13-9 Structure
IdentificationMore
[Name]

3-tert-Butoxy-3-oxopropanoic acid
[CAS]

40052-13-9
[Synonyms]

MALONIC ACID MONO-TERT-BUTYL ESTER
MONO-TERT-BUTYL MALONATE
TERT-BUTYL MALONATE
3-(tert-Butoxy)-3-oxopropanoic acid
Propanedioic acid mono(1,1-dimethylethyl) ester
tert-Butyl hydrogen malonate, 97%
[EINECS(EC#)]

628-204-0
[Molecular Formula]

C7H12O4
[MDL Number]

MFCD00191886
[Molecular Weight]

160.17
[MOL File]

40052-13-9.mol
Chemical PropertiesBack Directory
[Melting point ]

19-20 °C (lit.)
[Boiling point ]

90 °C/2 mmHg (lit.)
[density ]

1.04 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.426(lit.)
[Fp ]

195 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Soluble in ethanol.
[form ]

Liquid
[pka]

2.92±0.32(Predicted)
[color ]

Clear colorless
[BRN ]

1765457
[InChIKey]

NGGGZUAEOKRHMA-UHFFFAOYSA-N
[CAS DataBase Reference]

40052-13-9(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

R26:Very Toxic by inhalation.
R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 2922 8/PG 3
[WGK Germany ]

3
[PackingGroup ]

[HS Code ]

29171900
Hazard InformationBack Directory
[Chemical Properties]

Clear light yellow liquid
[Uses]

tert-Butyl hydrogen malonate may be used in the preparation of dendritic precursor to asymmetric methanofullerenes, hapten-3,6-(O,S-dimethylthiophosphoramido)-6-oxohexanoic acid, hapten-4,3-(O,S-dimethylthiophosphoramido)-3-oxopropanoic acid.
[General Description]

Mono-tert-Butyl malonates is an ester. It is reported to be an aminoacylase inhibitor. Preparation of mono-tert-Butyl malonates has been described.
Spectrum DetailBack Directory
[Spectrum Detail]

3-tert-Butoxy-3-oxopropanoic acid(40052-13-9)1HNMR
3-tert-Butoxy-3-oxopropanoic acid(40052-13-9)IR
3-tert-Butoxy-3-oxopropanoic acid(40052-13-9)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

tert-Butyl hydrogen malonate, 97%(40052-13-9)
[Sigma Aldrich]

40052-13-9(sigmaaldrich)
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