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About This Item
Linear Formula:
(CH3)3COCOCH2COOH
CAS Number:
Molecular Weight:
160.17
Beilstein:
1765457
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
Assay
95%
form
liquid
impurities
5% methanesulfonyl chloride
refractive index
n20/D 1.426 (lit.)
bp
90 °C/2 mmHg (lit.)
mp
19-20 °C (lit.)
density
1.04 g/mL at 25 °C (lit.)
SMILES string
CC(C)(C)OC(=O)CC(O)=O
InChI
1S/C7H12O4/c1-7(2,3)11-6(10)4-5(8)9/h4H2,1-3H3,(H,8,9)
InChI key
NGGGZUAEOKRHMA-UHFFFAOYSA-N
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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.
Application
Mono-tert-Butyl malonates may be used in the preparation of the following:
- dendritic precursor to asymmetric methanofullerenes
- hapten-3,6-(O,S-dimethylthiophosphoramido)-6-oxohexanoic acid
- hapten-4,3-(O,S-dimethylthiophosphoramido)-3-oxopropanoic acid
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 2 Inhalation - Skin Corr. 1B
Storage Class Code
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
WGK
WGK 3
Flash Point(F)
195.8 °F - closed cup
Flash Point(C)
91 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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