Ethyl 3-oxododecanoate

Basic Information

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CAS Number

67342-99-8

Molecular Formula

C14H26O3

Molecular Weight

242.36 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

284.4°C at 760 mmHg

SMILES

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CCCCCCCCCC(=O)CC(=O)OCC

InChI

InChI=1S/C14H26O3/c1-3-5-6-7-8-9-10-11-13(15)12-14(16)17-4-2/h3-12H2,1-2H3

InChIKey

GUIDAPPCHUNALD-UHFFFAOYSA-N

LogP

3.6494000000000026

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

212

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

Ethyl 3-oxododecanoate
67342-99-8
ethyl-3-oxododecanoate
DTXSID90986607
GUIDAPPCHUNALD-UHFFFAOYSA-N
CS-0152262
NS00054318
MFCD20127688
s11632
EN300-6498012
A923029
AKOS030524064
EINECS 266-656-7
Dodecanoic acid, 3-oxo-, ethyl ester
C14H26O3
SCHEMBL3777425
DS-19331
ethyl3-oxododecanoate

MDL Number

MFCD20127688

FAQ

What is Ethyl 3-oxododecanoate (CAS: 67342-99-8)?

Ethyl 3-oxododecanoate (CAS: 67342-99-8) is an organic compound with the formula C14H28O3. It is a colorless liquid with a distinctive odor. This compound has a pungent smell and is used in various applications due to its unique properties.

What are the main uses of Ethyl 3-oxododecanoate (CAS: 67342-99-8)?

Ethyl 3-oxododecanoate (CAS: 67342-99-8) is primarily used as a fragrance ingredient in the perfumery industry. It is also utilized in the synthesis of other organic compounds and as a flavoring agent in the food industry. Additionally, it serves as a chemical intermediate in the production of various pharmaceuticals.

Is Ethyl 3-oxododecanoate (CAS: 67342-99-8) safe?

Ethyl 3-oxododecanoate (CAS: 67342-99-8) is generally considered safe for use under normal conditions. However, it is important to follow safety guidelines, including the use of appropriate personal protective equipment (PPE) such as gloves and goggles. It should be handled in a well-ventilated area and away from sources of ignition.

How should Ethyl 3-oxododecanoate (CAS: 67342-99-8) be stored?

Ethyl 3-oxododecanoate (CAS: 67342-99-8) should be stored in a cool, dry place away from direct sunlight and heat sources. It is advisable to keep it in a sealed container made of appropriate materials such as glass or resistant plastic. The storage area should be well-ventilated and accessible only to trained personnel.