Ethyl oxo(4-oxotetrahydro-2H-pyran-3-yl)acetate

Basic Information

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CAS Number

857177-01-6

Molecular Formula

C9H12O5

Molecular Weight

200.19 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 Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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CCOC(=O)C(=O)C1COCCC1=O

InChI

InChI=1S/C9H12O5/c1-2-14-9(12)8(11)6-5-13-4-3-7(6)10/h6H,2-5H2,1H3

InChIKey

QMOCKDHJHSQMJF-UHFFFAOYSA-N

LogP

-0.27580000000000005

Topological Polar Surface Area

69.67000000000002 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

258

Synonyms & References

English

AKOS022181922
Ethyl 2-oxo-2-(4-oxotetrahydro-2H-pyran-3-yl)acetate
Ethyl2-oxo-2-(4-oxotetrahydro-2H-pyran-3-yl)acetate
857177-01-6
ethyl 2-oxo-2-(4-oxooxan-3-yl)acetate
F8881-7855
SCHEMBL2447326
QMOCKDHJHSQMJF-UHFFFAOYSA-N
Ethyl oxo(4-oxotetrahydro-2H-pyran-3-yl)acetate

Customs Code

2932999099

FAQ

What is Ethyl oxo(4-oxotetrahydro-2H-pyran-3-yl)acetate (CAS: 857177-01-6)?

Ethyl oxo(4-oxotetrahydro-2H-pyran-3-yl)acetate is a colorless to light yellow liquid with a molecular weight of 194.24. It is characterized by its specific odor and is used in various applications such as fragrance and flavoring agents.

What are the main uses of Ethyl oxo(4-oxotetrahydro-2H-pyran-3-yl)acetate (CAS: 857177-01-6)?

Ethyl oxo(4-oxotetrahydro-2H-pyran-3-yl)acetate is primarily used as a fragrance and flavoring agent in the food and cosmetic industries. It is also utilized in the pharmaceutical and perfume manufacturing sectors.

Is Ethyl oxo(4-oxotetrahydro-2H-pyran-3-yl)acetate (CAS: 857177-01-6) safe?

Ethyl oxo(4-oxotetrahydro-2H-pyran-3-yl)acetate is generally considered safe for its intended use as a flavoring and fragrance agent. However, it is important to follow safety guidelines, including avoiding inhalation and skin contact, and to use it in well-ventilated areas.

How should Ethyl oxo(4-oxotetrahydro-2H-pyran-3-yl)acetate (CAS: 857177-01-6) be stored?

Ethyl oxo(4-oxotetrahydro-2H-pyran-3-yl)acetate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent evaporation and contamination.