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Merck
CN

414638

mono-tert-Butyl malonate

95%

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About This Item

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

Key Documents

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Product Name

mono-tert-Butyl malonate, 95%

InChI

1S/C7H12O4/c1-7(2,3)11-6(10)4-5(8)9/h4H2,1-3H3,(H,8,9)

SMILES string

CC(C)(C)OC(=O)CC(O)=O

InChI key

NGGGZUAEOKRHMA-UHFFFAOYSA-N

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

Quality Level

100

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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

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.

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

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
SHBS7981
SHBR5811
MKCS5040
MKCR0395
SHBN1638

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Helen S Toogood et al.
Extremophiles : life under extreme conditions, 6(2), 111-122 (2002-05-16)
A thermostable L-aminoacylase from Thermococcus litoralis was cloned, sequenced, and overexpressed in Escherichia coli. The enzyme is a homotetramer of 43 kDa monomers and has an 82% sequence identity to an aminoacylase from Pyrococcus horikoshii and 45% sequence identity to
Formation of high-aspect-ratio helical nanorods via chiral self-assembly of fullerodendrimers.
Hilmer AJ, et al.
The Journal of Physical Chemistry Letters, 5(5), 929-934 (2014)
Facile Preparation and Purification of Mono tert-Butyl Malonate.
Tararov VI, et al.
Synthetic Communications, 36(2), 187-191 (2006)
Jae Koo Lee et al.
Journal of agricultural and food chemistry, 51(13), 3695-3703 (2003-06-12)
A competitive indirect enzyme-linked immunosorbent assay (ciELISA) for the organophosphorus insecticide acephate, O,S-dimethyl acetylphosphoramidothioate, was developed using a polyclonal antibody. Five different haptens mimicking the analyte were synthesized and conjugated with the carrier proteins bovine serum albumin (BSA) and keyhole

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