4-Ethoxy-1,1,1-trifluoro-3-buten-2-one

Basic Information

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CAS Number

17129-06-5

Molecular Formula

C6H7F3O2

Molecular Weight

168.11 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

-30℃

Boiling Point

51-53 °C/12 mmHg

Refractive Index

n20/D 1.406(lit.)

SMILES

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CCOC=CC(=O)C(F)(F)F

InChI

InChI=1S/C6H7F3O2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2H2,1H3

InChIKey

YKYIFUROKBDHCY-UHFFFAOYSA-N

LogP

1.668

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

160

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H351 Suspected of causing cancer
Carcinogenicity

Hazard Class

Class 3 Class 3

Sensitiveness

Moisture Sensitive

Synonyms & References

English

3-Buten-2-one, 4-ethoxy-1,1,1-trifluoro-, (3E)-
CS-0198018
EN300-03906
FD2031
AKOS025149133
(3E)-4-ethoxy-1,1,1-trifluoro-3-buten-2-one
17129-06-5
J-515260
(E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
(e)-4-ethoxy-1,1,1-trifluoro-3-buten-2-one (stabilized with bht)
DTXSID801033246
AMY12154
InChI=1/C6H7F3O2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2H2,1H3/b4-3
(3Z)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
(E)-4-ethoxy-1,1,1-trifluoro-3-buten-2-one
ETFBO
CS-17325
EN300-49157
4-Ethoxy-1,1,1-trifluoro-3-buten-2-one, contains 0.5% BHT as stabilizer, technical grade
AKOS000311498
E1088
4-Ethoxy-1,1,1-trifluoro-3-buten-2-one, tech grade
CS-W007845
(3E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
4-Ethoxy-1,1,1-trifluoro-3-buten-2-one
59938-06-6
J-010709
MFCD00192131
NS00077866
4-ethoxy-1,1,1-trifluorobut-3-en-2-one
beta-ethoxyvinyl trifluoromethyl ketone

MDL Number

MFCD00192131

Customs Code

2914700090

FAQ

What regulatory guidelines apply to 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS: 17129-06-5)?

4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS: 17129-06-5) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous properties such as flammability and reactivity. It is also subject to the European Union's Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) for notification and registration if used in quantities above the threshold. In the United States, it is managed by the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) under specific conditions.

Are there alternatives to 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one in synthesis?

For synthesis, alternatives to 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS: 17129-06-5) include similar functionalized derivatives such as 4-fluoro-1,1,1-trifluoro-3-buten-2-one and 4-methoxy-1,1,1-trifluoro-3-buten-2-one. Other substitutes might involve using different functional groups or isomers, which can offer similar reactivity but with different physical and chemical properties.

What is the market or research trend for 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one?

The market for 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS: 17129-06-5) is driven by its application in pharmaceuticals, agrochemicals, and as a precursor in organic synthesis. Research trends are focusing on its use in controlled release formulations and novel chemical reactions. Additionally, there is an increasing demand for safer and more sustainable alternatives, which is leading to exploration of new synthetic pathways and isomers.

How should waste containing 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one be handled?

Waste containing 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one (CAS: 17129-06-5) should be collected in appropriate, sealed containers to prevent leakage. It should be stored in a well-ventilated area away from heat sources and oxidizers. For disposal, it is recommended to consult local regulations, but generally, it should be incinerated or sent to a professional waste disposal service to ensure proper treatment and minimize environmental impact. Protective equipment and safety measures should be followed to handle the waste safely.