4-methoxybut-3-en-2-one

Basic Information

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CAS Number

4652-27-1

Molecular Formula

C5H8O2

Molecular Weight

100.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

172 ºC

Flash Point

52.8±16.2 ºC,

Refractive Index

1.4699 (589.3 nm 20 ºC)

SMILES

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CC(=O)C=COC

InChI

InChI=1S/C5H8O2/c1-5(6)3-4-7-2/h3-4H,1-2H3

InChIKey

VLLHEPHWWIDUSS-UHFFFAOYSA-N

LogP

0.7355

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

84.1

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

LS-13050
EINECS 257-364-0
(3E)-4-Methoxybut-3-en-2-one
3-Buten-2-one, 4-methoxy-, (3E)-
CS-W013712
4-METHOXY-3-BUTEN-2-ONE51731-17-0
4-Methoxybut-3-en-2-one
SCHEMBL560843
F50213
(3E)-4-Methoxy-3-buten-2-one
51731-17-0
4652-27-1
D78013
EN300-248251
trans-4-Methoxy-3-buten-2-one
DTXSID501308458
A850060
4-Methoxy-3-buten-2-one
CS-17363
J-515639
EN300-53314
(3E)-4-Methoxy-3-buten-2-one #
(E)-4-methoxy-but-3-en-2-one
1-methoxy-1-buten-3-one
trans-4-Methoxy-3-buten-2-one, technical grade, 90%
MFCD00008778
3-Buten-2-one, 4-methoxy-
GEO-04315
(E)-4-Methoxy-3-buten-2-one
NS00088310
(E)-4-methoxybut-3-en-2-one

MDL Number

MFCD00008778

Customs Code

2914509090

FAQ

What regulatory guidelines apply to 4-methoxybut-3-en-2-one (CAS: 4652-27-1)?

4-Methoxybut-3-en-2-one (CAS: 4652-27-1) falls under the scope of the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as a flammable liquid and requires proper labeling and handling. It is also subject to the European Union’s Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation, which mandates safety data sheets (SDS) and registration for manufacturers and importers. The U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) also require compliance with specific regulations for handling and disposal, ensuring minimal environmental impact.

Are there alternatives to 4-methoxybut-3-en-2-one in synthesis?

Alternatives to 4-methoxybut-3-en-2-one in synthesis include similar ketones and aldehydes with similar functional groups. For example, methyl ethyl ketone (MEK) and acetone can serve as chemical equivalents in certain reactions. Other substitutes might include isomers of 4-methoxybut-3-en-2-one or related compounds, depending on the specific application and desired properties. It is important to consider the cost, availability, and reactivity of these alternatives in the synthesis process.

What is the market or research trend for 4-methoxybut-3-en-2-one (CAS: 4652-27-1)?

The market for 4-methoxybut-3-en-2-one (CAS: 4652-27-1) is primarily driven by its use in the production of fragrances, pharmaceuticals, and as a flavor and aroma compound. Research trends indicate a growing interest in developing more sustainable and eco-friendly production methods. Additionally, there is ongoing exploration into its potential applications in biocatalysis and as a precursor in organic synthesis. Industry demand is expected to remain stable, with a focus on optimizing production processes and expanding its use cases.

How should waste containing 4-methoxybut-3-en-2-one (CAS: 4652-27-1) be handled?

Waste containing 4-methoxybut-3-en-2-one (CAS: 4652-27-1) should be collected in appropriate containers, labeled with the chemical name and hazard information, and disposed of according to local regulations. Incineration is a common method for disposal, but professional waste disposal services are recommended to ensure compliance with environmental regulations. Environmental protection precautions include proper ventilation and the use of personal protective equipment (PPE) during handling and disposal. It is crucial to follow local guidelines and best practices to minimize environmental impact and ensure safety.