2-Methylene-4-(octyloxy)-4-oxobutanoic acid

Basic Information

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CAS Number

3133-16-2

Molecular Formula

C13H22O4

Molecular Weight

242.31 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

SMILES

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CCCCCCCCOC(=O)CC(=C)C(=O)O

InChI

InChI=1S/C13H22O4/c1-3-4-5-6-7-8-9-17-12(14)10-11(2)13(15)16/h2-10H2,1H3,(H,15,16)

InChIKey

KBASUIDPDITQHT-UHFFFAOYSA-N

LogP

2.921000000000001

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

258

Synonyms & References

English

4-Octyl Itaconate
Itaconic acid 4-octyl ester
2-Methylene-4-(octyloxy)-4-oxobutanoic acid
BCP31060
s5929
2-Methylenebutanedioic acid 4-octyl ester
2-methylidene-4-octoxy-4-oxobutanoic acid
AK00807135
Monooctyl Itaconate ;4 Octyl Itaconate; 4-Octyl-Itaconate

MDL Number

MFCD31706409

FAQ

What regulatory guidelines apply to 2-Methylene-4-(octyloxy)-4-oxobutanoic acid (CAS: 3133-16-2)?

2-Methylene-4-(octyloxy)-4-oxobutanoic acid (CAS: 3133-16-2) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA/EPA requirements for chemical safety and environmental impact. Specific regulations may vary by region and application.

Are there alternatives to 2-Methylene-4-(octyloxy)-4-oxobutanoic acid (CAS: 3133-16-2) in synthesis?

There are several alternatives to 2-Methylene-4-(octyloxy)-4-oxobutanoic acid (CAS: 3133-16-2) in synthesis, including analogs and isomers that can be used depending on the specific application. Common alternatives include other carboxylic acids with different substituents or similar functional groups.

What is the market or research trend for 2-Methylene-4-(octyloxy)-4-oxobutanoic acid (CAS: 3133-16-2)?

The market for 2-Methylene-4-(octyloxy)-4-oxobutanoic acid (CAS: 3133-16-2) is driven by its applications in various industries, including pharmaceuticals and cosmetics. Research trends are focused on understanding its biological activity and potential uses in drug development and as a cosmeceutical ingredient. Demand is expected to grow due to increasing interest in natural and bioactive compounds.

How should waste containing 2-Methylene-4-(octyloxy)-4-oxobutanoic acid (CAS: 3133-16-2) be handled?

Waste containing 2-Methylene-4-(octyloxy)-4-oxobutanoic acid (CAS: 3133-16-2) should be collected and managed according to local regulations. Proper waste handling includes ensuring the waste is neutralized if necessary, then disposed of through incineration or professional waste disposal services. Environmental protection measures should be implemented to prevent contamination of soil and water sources.