4-Oxocyclohexanecarboxylic acid

Basic Information

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CAS Number

874-61-3

Molecular Formula

C7H10O3

Molecular Weight

142.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

67-71 °C

Boiling Point

309.7°C at 760 mmHg

Density

1.233

Flash Point

155.3℃

Refractive Index

1.5

SMILES

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C1CC(=O)CCC1C(=O)O

InChI

InChI=1S/C7H10O3/c8-6-3-1-5(2-4-6)7(9)10/h5H,1-4H2,(H,9,10)

InChIKey

OWLXUYGCLDGHJJ-UHFFFAOYSA-N

LogP

0.8303

Topological Polar Surface Area

54.37 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

152

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H318 Causes serious eye damage
Serious eye damage/eye irritation

Synonyms & References

English

4-Oxocyclohexanecarboxylic acid
NCGC00341439-01
Z235352395
4-Oxo-cyclohexanecarboxylic acid
4-Carboxycyclohexanone
EN300-88624
Cyclohexanecarboxylic acid, 4-oxo-
4-Oxocyclohehane-1-carboxylic acid
4-oxocyclohexanoic acid
874-61-3
Q27105526
4-Oxocyclohexanecarboxylic acid #
FT-0711701
4-Ketocyclohexanecarboxylic acid
4-oxocyclohexane-1-carboxylic acid
CHEBI:1921
MFCD00102035
4-ketocyclohexane carboxylic acid
SY018365
4-oxocyclohexanecarboxylicacid
AKOS000279497
O0474
4-Oxocyclohexanecarboxylic acid, 97%
C03767
F6782-3528
SCHEMBL6126
4-Oxo-chca
4-oxocyclohexane carboxylic acid
cyclohexanone-4-carboxylic acid
HMS1699P05
PS-5730

MDL Number

MFCD00102035

Customs Code

2918300090

FAQ

What is 4-Oxocyclohexanecarboxylic acid (CAS: 874-61-3)?

4-Oxocyclohexanecarboxylic acid (CAS: 874-61-3) is a cyclic carboxylic acid with a six-membered ring containing an oxo group. It is a colorless solid at room temperature and has a pungent odor. It is a key intermediate in the synthesis of various pharmaceuticals and organic compounds.

What are the main uses of 4-Oxocyclohexanecarboxylic acid (CAS: 874-61-3)?

4-Oxocyclohexanecarboxylic acid (CAS: 874-61-3) is widely used as a precursor in the synthesis of pharmaceuticals, particularly in the production of prodrugs and chemical intermediates. It is also utilized in the development of materials science and as a building block in organic synthesis.

Is 4-Oxocyclohexanecarboxylic acid (CAS: 874-61-3) safe?

4-Oxocyclohexanecarboxylic acid (CAS: 874-61-3) is generally considered safe when handled with proper precautions. It is non-toxic but may cause skin irritation. Protective gloves and safety glasses are recommended during handling. It should be stored in a cool, dry place away from direct sunlight.

How should 4-Oxocyclohexanecarboxylic acid (CAS: 874-61-3) be stored?

4-Oxocyclohexanecarboxylic acid (CAS: 874-61-3) 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 moisture absorption. The storage area should be well-ventilated to minimize the risk of fire and ensure worker safety.