Ethyl 2-oxohexanoate

Basic Information

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CAS Number

5753-96-8

Molecular Formula

C8H14O3

Molecular Weight

158.2 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

211.7°C at 760 mmHg

Flash Point

81 ºC

SMILES

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CCCCC(=O)C(=O)OCC

InChI

InChI=1S/C8H14O3/c1-3-5-6-7(9)8(10)11-4-2/h3-6H2,1-2H3

InChIKey

WRQGPGZATPOHHX-UHFFFAOYSA-N

LogP

1.3088

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

140

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

8CHS2NK8NX
DS-1135
Sulfurhexafluoride
2-OXOHEXANOIC ACID ETHYL ESTER
CS-0049501
MFCD09952021
SY021272
Ethyl a-ketocaproate
AKOS005063424
DTXSID90437028
EN300-114756
Hexanoic acid, 2-oxo-, ethyl ester
5753-96-8
2-KETO HEXANOIC ACID ETHYL ESTER
ethyl alpha-oxo-hexanoate
WRQGPGZATPOHHX-UHFFFAOYSA-N
2-oxo-hexanoic acid ethyl ester
FT-0650158
ETHYL ALPHA-KETOCAPROATE
A8206
PB13106
AM85828
ethyl 2-oxohexanoate
SCHEMBL910019
Ethyl 2-oxohexanoate
2-oxohexanoic acid ethyl ester
ethyl alpha-ketocaproate
2-Keto Hexanoic acid ethyl ester
Ethyl-2-Oxohexanoate
Ethyl2-oxohexanoate
PubChem18138

MDL Number

MFCD09952021

Customs Code

2918300090

FAQ

What regulatory guidelines apply to Ethyl 2-oxohexanoate (CAS: 5753-96-8)?

Ethyl 2-oxohexanoate (CAS: 5753-96-8) falls under the scope of the GHS (Globally Harmonized System of Classification and Labelling of Chemicals) for classification and labeling. It is also subject to REACH (Registration, Evaluation, Authorization and Restriction of Chemicals) in the European Union, which requires manufacturers and importers to register the substance if it is produced or imported in quantities above one tonne per year. FDA and EPA regulations in the United States may also apply, particularly for products in food, pharmaceutical, or environmental applications.

Are there alternatives to Ethyl 2-oxohexanoate (CAS: 5753-96-8) in synthesis?

Several alternative reagents can be used in the synthesis of Ethyl 2-oxohexanoate (CAS: 5753-96-8). For instance, ethyl 3-oxopentanoate can be used as a direct analog, while other options include ethyl 4-oxopentanoate or ethyl 5-oxopentanoate, depending on the specific reaction conditions and desired properties. Isomers such as 2-methylbutyric acid ethyl ester or 3-methylbutyric acid ethyl ester can also serve as alternatives, offering similar functionalities.

What is the market or research trend for Ethyl 2-oxohexanoate (CAS: 5753-96-8)?

The market for Ethyl 2-oxohexanoate (CAS: 5753-96-8) is expanding due to its application in the fragrance and flavor industry. Research trends indicate increasing demand for sustainable and biodegradable alternatives, prompting investigations into its use in eco-friendly products. Additionally, advancements in analytical techniques are enhancing the understanding of its properties and applications, leading to new research directions in polymer chemistry and materials science.

How should waste containing Ethyl 2-oxohexanoate (CAS: 5753-96-8) be handled?

Waste containing Ethyl 2-oxohexanoate (CAS: 5753-96-8) should be collected in appropriate containers and neutralized with a base to minimize environmental impact. The waste can then be incinerated or disposed of through professional waste disposal services that adhere to local and international regulations. Care should be taken to ensure that the waste is not released into the environment, and all disposal procedures should comply with the GHS, REACH, FDA, and EPA guidelines applicable to the region.