mono-tert-Butyl malonate

ALDRICH/414638 - 95%

CAS Number: 40052-13-9
Empirical Formula (Hill Notation): C₇H₁₂O₄
Molecular Weight: 160.17
MDL Number: MFCD00191886
Linear Formula: (CH₃)₃COCOCH₂COOH
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-414638-1G	1 g	$35.50 1/EA		Add To Favorites
45-414638-10G	10 g	$220.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	95%
bp	90 °C/2 mmHg (lit.)
density	1.04 g/mL at 25 °C (lit.)
form	liquid
functional group	carboxylic acid
	ester
impurities	5% methanesulfonyl chloride
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
mp	19-20 °C (lit.)
Quality Level	100
refractive index	n20/D 1.426 (lit.)
SMILES string	CC(C)(C)OC(=O)CC(O)=O

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.
Packaging:	1, 10 g in glass bottle

Symbol	GHS05,GHS06
Signal word	Danger
Hazard statements	H314 - H330
Precautionary statements	P280 - P301 + P330 + P331 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
Hazard Codes	T
Risk Statements	26-34
Safety Statements	26-27-36/37/39-45
RIDADR	UN 2922 6.1(8) / PGIII
WGK Germany	WGK 3
Flash Point(F)	195.8 °F - closed cup
Flash Point(C)	91 °C - closed cup

Purity	95%
bp	90 °C/2 mmHg (lit.)
mp	19-20 °C (lit.)
Density	1.04 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.426 (lit.)
UNSPSC	12352100

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