Diethyl sec-butylmalonate

Basic Information

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CAS Number

83-27-2

Molecular Formula

C11H20O4

Molecular Weight

216.28 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

225°C

Density

0.992

Flash Point

103 ºC

Refractive Index

1.4230-1.4260

SMILES

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CCC(C)C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C11H20O4/c1-5-8(4)9(10(12)14-6-2)11(13)15-7-3/h8-9H,5-7H2,1-4H3

InChIKey

MIIZSUOEOUHAIZ-UHFFFAOYSA-N

LogP

1.7749000000000001

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

195

Synonyms & References

English

Diethyl sec-butylmalonate
AKOS015838711
Propanedioic acid, (1-methylpropyl)-, diethyl ester
Diethyl 2-sec-butylmalonate #
sec-Butylmalonic acid diethyl ester
EINECS 201-463-3
AMY31986
2-s-butyl-malonic acid diethyl ester
Diethyl s-butylmalonate
Diethyl (1-methylpropyl)malonate
A840551
Diethyl 2-(sec-butyl)malonate
Malonic acid, sec-butyl-, diethyl ester
NSC41157
NSC 41157
83-27-2
MFCD00015194
CS-W014844
MIIZSUOEOUHAIZ-UHFFFAOYSA-
Diethyl 1-methylpropylmalonate
NSC 30679
2-(1-methyl-propyl)-propanedioic acid diethyl ester
1,3-Diethyl 2-(1-methylpropyl)propanedioate
NSC127865
D70303
diethyl sec-butyl-malonate
NSC-127865
diethyl 2-butan-2-ylpropanedioate
NSC 127865
NSC30679
DTXSID201263613

MDL Number

MFCD00015194

Customs Code

2917190090

FAQ

What regulatory guidelines apply to Diethyl sec-butylmalonate (CAS: 83-27-2)?

Diethyl sec-butylmalonate (CAS: 83-27-2) falls under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) category 2 for skin corrosion/irritation. It is also regulated under the REACH regulations in the European Union, requiring manufacturers and importers to register substances with a threshold of 1 tonne per year. In the USA, the FDA and EPA have specific regulations for the use and disposal of this compound, including data requirements for registration and reporting of hazardous substances.

Are there alternatives to Diethyl sec-butylmalonate (CAS: 83-27-2) in synthesis?

There are alternative reagents that can be used in synthesis instead of Diethyl sec-butylmalonate (CAS: 83-27-2). For instance, other malonates like ethyl propylmalonate can serve similar functions. Additionally, isomers such as the sec-butyl ester of methyl malonate may be viable alternatives. These alternatives provide similar functionalities but with potentially different reactivity and environmental impacts.

What is the market or research trend for Diethyl sec-butylmalonate (CAS: 83-27-2)?

The market for Diethyl sec-butylmalonate (CAS: 83-27-2) is steadily growing due to its use in fragrance and flavor industries. Research trends indicate an increasing focus on sustainable and biodegradable alternatives. Recent studies are exploring its potential in biodegradable polymer synthesis and as a bio-based chemical. Economic factors such as supply chain sustainability and regulatory compliance are also driving market trends.

How should waste containing Diethyl sec-butylmalonate (CAS: 83-27-2) be handled?

Waste containing Diethyl sec-butylmalonate (CAS: 83-27-2) should be collected in appropriate containers and stored in a well-ventilated area away from sources of ignition. For proper disposal, it is recommended to consult local regulations, as it may need to be incinerated or disposed of by a professional waste disposal service. Special care should be taken to ensure that disposal methods comply with environmental protection standards to prevent contamination of soil and water sources.