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About This Item

Linear Formula:
(CH3)3COCOCH2COOH
CAS Number:
40052-13-9
Molecular Weight:
160.17
Beilstein/REAXYS Number:
1765457
MDL number:
MFCD00191886
UNSPSC Code:
12352100
PubChem Substance ID:
24865947
NACRES:
NA.22
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Quality Level

100

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.)

functional group

carboxylic acid
ester

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

pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

signalword

Danger

hcodes

H314,H330

Hazard Classifications

Acute Tox. 2 Inhalation - Skin Corr. 1B

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk_germany

WGK 3

flash_point_f

195.8 °F - closed cup

flash_point_c

91 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBN1638
SHBM9147
SHBM2127
SHBM2126
MKCK6808

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