Ethyl 2-oxopentanoate

Basic Information

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CAS Number

50461-74-0

Molecular Formula

C7H12O3

Molecular Weight

144.17 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 Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

182.5°C at 760 mmHg

Refractive Index

1.414

SMILES

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CCCC(=O)C(=O)OCC

InChI

InChI=1S/C7H12O3/c1-3-5-6(8)7(9)10-4-2/h3-5H2,1-2H3

InChIKey

YERWBBMSDMSDKT-UHFFFAOYSA-N

LogP

0.9187

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

129

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

YERWBBMSDMSDKT-UHFFFAOYSA-N
ethyl 2-ketopentanoate
2-oxo-Pentaroic acid ethyl ester
Ethyl2-oxovalerate
EN300-134957
ETHYL-2-OXO-PENTANOATE
50461-74-0
ethyl 2-oxopentanoate
AB25061
SCHEMBL112407
DTXSID40198490
Ethyl 2-oxo-pentanoate
W-105959
EINECS 256-593-3
Pentanoic acid, 2-oxo-, ethyl ester
MFCD06410882
AKOS006292052
NS00032065
FT-0601955
2-Oxopentanoic acid ethyl ester
AS-11657
ethyl alpha-ketovalerate
Ethyl 2-oxovalerate
2-OXO-PENTANOIC ACID ETHYL ESTER
2-oxo-pentanoic acid ethyl ester
2-OXO-PENTAROIC ACID ETHYL ESTER
2-Oxovalericacidethylester
PENTANOICACID,2-OXO-,ETHYLESTER
Ethyl 2-Oxopentanoate
2-Oxo-valeriansaeure-aethylester
2-oxo-valeric acid ethyl ester

MDL Number

MFCD06410882

Customs Code

2918300090

FAQ

What regulatory guidelines apply to Ethyl 2-oxopentanoate (CAS: 50461-74-0)?

Ethyl 2-oxopentanoate (CAS: 50461-74-0) should comply with the REACH regulations in the European Union, which require registration, evaluation, authorization, and restriction of chemical substances. Additionally, it must adhere to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for proper hazard communication. In the United States, it must meet FDA and EPA requirements for safe handling and disposal.

Are there alternatives to Ethyl 2-oxopentanoate (CAS: 50461-74-0) in synthesis?

Alternative reagents for synthesizing similar functionalities could include methyl 2-oxopentanoate or ethyl 2-oxohexanoate. These compounds can serve as effective substitutes depending on the specific reaction conditions and desired product properties.

What is the market or research trend for Ethyl 2-oxopentanoate (CAS: 50461-74-0)?

The market for Ethyl 2-oxopentanoate (CAS: 50461-74-0) is primarily driven by its use in flavor and fragrance industries. Research trends indicate increasing interest in sustainable and biodegradable compounds, which could influence the development of greener alternatives or formulations.

How should waste containing Ethyl 2-oxopentanoate (CAS: 50461-74-0) be handled?

Waste containing Ethyl 2-oxopentanoate (CAS: 50461-74-0) should be collected in appropriate containers and stored in a well-ventilated area. For safe disposal, it is recommended to incinerate or use professional waste disposal services that comply with local regulations. Proper environmental protection measures, such as neutralization of acidic waste, should be taken to prevent environmental contamination.