Mono-tert-butyl Malonate

About Mono-tert-butyl Malonate

Mono-tert-butyl Malonate is a carboxylic acid carrying the CAS registry number 40052-13-9. Its molecular formula is C7H12O4 and its molecular weight is 160.17 g/mol. Its systematic (IUPAC) name is 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid. It is also known as 3-(tert-Butoxy)-3-oxopropanoic acid or 3-tert-Butoxy-3-oxopropanoic acid.

Store sealed in a dry, well-ventilated location away from incompatible materials. Under GHS it is labelled “Danger”, so handle it with suitable PPE and consult the SDS.

Typical applications include organic synthesis and API synthesis. It is used across pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 100 mg, 250 mg, 1 g and 5 g, and every batch ships with a Certificate of Analysis (COA) and we export worldwide. SDS and detailed specification sheets can be requested with your quotation.

Typical applications

Organic synthesis
API synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	Mono-tert-butyl Malonate
Catalogue No.	VQ-051338
CAS Number	40052-13-9
IUPAC name	3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
Molecular formula	C₇H₁₂O₄
Molecular weight	160.17 g/mol
Exact mass	160.0736
InChIKey	NGGGZUAEOKRHMA-UHFFFAOYSA-N
SMILES	CC(C)(C)OC(=O)CC(=O)O
PubChem CID	545853

Physical properties
Physical form	Other
LogP (XLogP3)	0.8
H-bond donors / acceptors	1 / 4
TPSA	63.6 Å²
Synonyms	3-(tert-Butoxy)-3-oxopropanoic acid, 3-tert-Butoxy-3-oxopropanoic acid, Malonic acid mono-tert-butyl ester, mono-t-butyl malonate, 2-(tert-butoxycarbonyl)acetic acid, Propanedioic acid, mono(1,1-dimethylethyl) ester, 3-tert-butoxy-3-oxo-propanoic acid, malonic acid mono t-butyl ester, 3-tert-Butoxy-3-oxopropanoicacid, Malonic acid tert-butyl monoester, 3-tert-Butoxy-3-oxopropionic acid, 2-(tert-butoxy-carbonyl)acetic acid

Safety & hazard information (GHS)

Corrosive

Toxic

Harmful / irritant

Signal word: Danger

Hazard statements

H314Causes severe skin burns and eye damage
H315Causes skin irritation
H319Causes serious eye irritation
H330Fatal if inhaled
H335May cause respiratory irritation

Precautionary statements: P260, P261, P264, P264 + P265, P271, P280, P284, P301 + P330 + P331, P302 + P352, P302 + P361 + P354, P304 + P340, P305 + P351 + P338, P305 + P354 + P338, P316, P319, P320, P321, P332 + P317, P337 + P317, P362 + P364, P363, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Mono-tert-butyl Malonate?

The CAS Registry Number of Mono-tert-butyl Malonate is 40052-13-9. It is also known as 3-(tert-Butoxy)-3-oxopropanoic acid, 3-tert-Butoxy-3-oxopropanoic acid, Malonic acid mono-tert-butyl ester.

What is the molecular formula and molecular weight of Mono-tert-butyl Malonate?

Mono-tert-butyl Malonate has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid.

Which grade and pack sizes of Mono-tert-butyl Malonate can I order?

We supply Mono-tert-butyl Malonate, in 100 mg, 250 mg, 1 g, 5 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Mono-tert-butyl Malonate?

Yes. Every lot of Mono-tert-butyl Malonate is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Mono-tert-butyl Malonate be shipped internationally?

Yes. Mono-tert-butyl Malonate is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.