Ethyl (1-hydroxy-4-oxocyclohexyl)acetate

Basic Information

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CAS Number

81053-18-1

Molecular Formula

C10H16O4

Molecular Weight

200.23 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

313 ºC

Density

1.161

Flash Point

119 ºC

SMILES

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CCOC(=O)CC1(O)CCC(=O)CC1

InChI

InChI=1S/C10H16O4/c1-2-14-9(12)7-10(13)5-3-8(11)4-6-10/h13H,2-7H2,1H3

InChIKey

TXSPYNSGSUBIQZ-UHFFFAOYSA-N

LogP

0.8138000000000001

Topological Polar Surface Area

63.6 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

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

Ethyl 2-(1-hydroxy-4-oxocyclohexyl)acetate
1-hydroxy-4-oxo-Cyclohexaneacetic acid ethyl ester
1-Hydroxy-4-oxocyclohexaneacetic acid ethyl ester
ethyl 2-(1-hydroxy-4-oxo-cyclohexyl)acetate

MDL Number

MFCD17215149

FAQ

What is Ethyl (1-hydroxy-4-oxocyclohexyl)acetate (CAS: 81053-18-1)?

Ethyl (1-hydroxy-4-oxocyclohexyl)acetate (CAS: 81053-18-1) is a cyclic ester with the molecular formula C10H18O3. It is a colorless to light yellow liquid with a characteristic odor. It is used in the pharmaceutical, fragrance, and flavor industries due to its unique chemical properties.

What are the main uses of Ethyl (1-hydroxy-4-oxocyclohexyl)acetate (CAS: 81053-18-1)?

Ethyl (1-hydroxy-4-oxocyclohexyl)acetate (CAS: 81053-18-1) is primarily used as a fragrance and flavor compound in the perfumery and food industry. It is also utilized in the pharmaceutical sector as a precursor or intermediate in the synthesis of other compounds.

Is Ethyl (1-hydroxy-4-oxocyclohexyl)acetate (CAS: 81053-18-1) safe?

Ethyl (1-hydroxy-4-oxocyclohexyl)acetate (CAS: 81053-18-1) is generally considered safe for its intended uses. However, it is flammable and should be handled with care. Proper ventilation and personal protective equipment, such as gloves and goggles, are recommended to prevent inhalation and skin contact. Exposure to high temperatures or open flames should be avoided.

How should Ethyl (1-hydroxy-4-oxocyclohexyl)acetate (CAS: 81053-18-1) be stored?

Ethyl (1-hydroxy-4-oxocyclohexyl)acetate (CAS: 81053-18-1) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly closed container made of suitable materials, such as glass or plastic, to prevent evaporation and contamination. Ensure good ventilation in the storage area to avoid the risk of fire or explosion.