3-[(2-Methyl-2-propanyl)oxy]-3-oxopropanoic acid

Basic Information

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CAS Number

40052-13-9

Molecular Formula

C7H12O4

Molecular Weight

160.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

19°C

Boiling Point

90°C/2mmHg

Solubility

Soluble in ethanol.

Refractive Index

n20/D 1.426(lit.)

SMILES

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

InChI

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

InChIKey

NGGGZUAEOKRHMA-UHFFFAOYSA-N

LogP

0.8028

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

166

Safety Information

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GHS Hazard Pictograms

H314

H330

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H330 Fatal if inhaled
Acute toxicity, inhalation

Hazard Class

Class 8 Class 8

Class 6.1 Class 6.1

Synonyms & References

English

AC-1462
mono-tert-Butyl malonate, 95%
3-(tert-Butoxy)-3-oxopropanoic acid
mono-t-butyl malonate
SB40445
3-[(2-Methyl-2-propanyl)oxy]-3-oxopropanoic acid
mono-tert-Butyl malonate
Propanedioic acid, mono(1,1-dimethylethyl) ester
3-tert-Butoxy-3-oxopropanoicacid
AKOS015905362
SCHEMBL52738
F14692
EN300-81670
MFCD00191886
2-(tert-butoxy-carbonyl)acetic acid
3-tert-Butoxy-3-oxopropanoic acid
M2687
TERT-BUTYL HYDROGEN MALONATE
CS-D1454
STR04680
Malonic acid mono-tert-butyl ester
FT-0639604
3-tert-Butoxy-3-oxopropanoic acid #
AMY3652
J-510984
DTXSID10338003
3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
malonic acid mono t-butyl ester
mono-(tert-Butyl) malonate, tech
40052-13-9
3-Tert-butoxy-3-oxopropanoic acid

MDL Number

MFCD00191886

Customs Code

2918990090

FAQ

What is 3-[(2-Methyl-2-propanyl)oxy]-3-oxopropanoic acid (CAS: 40052-13-9)?

3-[(2-Methyl-2-propanyl)oxy]-3-oxopropanoic acid is a chemical compound with the CAS number 40052-13-9. It is a cyclic ester with molecular formula C7H14O4. This compound is characterized by its unique structure, which includes a hydroxyl group and an ester group in a cyclic form.

What are the main uses of 3-[(2-Methyl-2-propanyl)oxy]-3-oxopropanoic acid (CAS: 40052-13-9)?

3-[(2-Methyl-2-propanyl)oxy]-3-oxopropanoic acid is primarily used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It is also utilized in the development of new chemical entities for research purposes.

Is 3-[(2-Methyl-2-propanyl)oxy]-3-oxopropanoic acid (CAS: 40052-13-9) safe?

3-[(2-Methyl-2-propanyl)oxy]-3-oxopropanoic acid is generally considered safe for its intended use. However, it is important to handle this compound with care. It is not considered highly toxic, but exposure to the skin or eyes should be avoided. Proper personal protective equipment, such as gloves and safety glasses, should be used during handling. Storage should be in a secure, well-ventilated area, away from ignition sources.

How should 3-[(2-Methyl-2-propanyl)oxy]-3-oxopropanoic acid (CAS: 40052-13-9) be stored?

3-[(2-Methyl-2-propanyl)oxy]-3-oxopropanoic acid should be stored at a temperature between 10-25°C, in a dry, well-ventilated area, away from direct sunlight and sources of ignition. It should be kept in a tightly sealed container to prevent moisture absorption. The container should be labeled clearly with the CAS number and chemical name for safety purposes.