tert-Butyl hydrogen malonate, 96%, Thermo Scientific Chemicals

Description

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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.

Solubility
Soluble in ethanol.

Notes
Store in a cool, dry condition in a well sealed container.

Specifications

Chemical Identifiers

• CAS: 40052-13-9
• Molecular Formula: C7H12O4
• Molecular Weight (g/mol): 160.169
• MDL Number: MFCD00191886
• InChI Key: NGGGZUAEOKRHMA-UHFFFAOYSA-N
• Synonym: 3-tert-butoxy-3-oxopropanoic acid, malonic acid mono-tert-butyl ester, mono-tert-butyl malonate, 2-tert-butoxycarbonyl acetic acid, tert-butyl hydrogen malonate, mono-t-butyl malonate, pubchem13754, malonicacidmono-tert-butylester, malonic acid mono t-butyl ester
• PubChem CID: 545853
• IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
• SMILES: CC(C)(C)OC(=O)CC(=O)O

• Melting Point: 19°C to 20°C
• Density: 1.04
• Boiling Point: 90°C (2 mmHg)
• Flash Point: 91°C (195°F)
• Refractive Index: 1.426
• Quantity: 25 g
• Beilstein: 1765457
• Solubility Information: Soluble in ethanol.
• Formula Weight: 160.17
• Percent Purity: 96%
• Chemical Name or Material: tert-Butyl hydrogen malonate

Safety and Handling

Hazard Category	H227-H314-H330-H335
Hazard Statement	GHS H Statement H315-H319-H335 Causes skin irritation. Causes serious eye irritation. May cause respiratory irritation.
Precautionary Statement	P210-P235-P260-P264b-P271-P280-P284-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378q-P501c
DOTInformation	Hazard Class: 8; Packaging Group: III
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only