Cyclohexanecarboxylic acid

Basic Information

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CAS Number

98-89-5

Molecular Formula

C7H12O2

Molecular Weight

128.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

29-31 °C

Boiling Point

232-233 °C

Density

1.033 g/mL at 25 °C

Water Solubility

0.201 g/100 mL (15 ºC)

Solubility

H2O: soluble0.201g in 100g at 15°C

Refractive Index

n20/D 1.461(lit.)

SMILES

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OC(=O)C1CCCCC1

InChI

InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)

InChIKey

NZNMSOFKMUBTKW-UHFFFAOYSA-N

LogP

1.6513

pKa

4.9(at 25℃)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

104

Safety Information

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GHS Hazard Pictograms

H315

H318

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

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

Synonyms & References

English

Cyclohexanecarboxylic acid
FEMA 3531
HEXAHYDROBENZOIC ACID
RARECHEM AL BO 1301
TIMTEC-BB SBB008550
Benzoic acid, hexahydro-
Carboxycyclohexane
cyclohexanoicacid
Cyclohexylcarboxylic acid
Cyclohexylmethanoic acid
Hexahylcarbonicacid
Cyelohexanecarboxylic acid
Hexahydrobenozic acid
CYCLOHEXANECARBOXYLATE
Cyclohexanol formic acid
BENZOIC ACID
Cyclohexancarbonsaeure
Cyclohexane-Carboxylic Acid
Cyclohexanecarboxylic Acid (500 mg)
CYCLOHEXANECARBOXYLIC ACID FOR SYNTHESIS
Cyclohexylformic acid
HEXAH
Hexahydrobenzoic acid

MDL Number

MFCD00001461

Customs Code

2916209090

FAQ

What is Cyclohexanecarboxylic acid (CAS: 98-89-5)?

Cyclohexanecarboxylic acid (CAS: 98-89-5) is a cyclic carboxylic acid with the chemical formula C8H14O2. It appears as a white crystalline solid, has a melting point of approximately 75°C, and is slightly soluble in water but more soluble in organic solvents. It is commonly used as an intermediate in organic synthesis and has applications in various industrial processes.

What are the main uses of Cyclohexanecarboxylic acid (CAS: 98-89-5)?

Cyclohexanecarboxylic acid (CAS: 98-89-5) is widely used in the pharmaceutical industry as a precursor for cortisone and other steroids. It also serves as an industrial additive for plasticizers, coatings, and polymer production. In research, it is employed in chemical synthesis and as a stabilizer. Additionally, it finds applications in food processing and fragrance compounds.

Is Cyclohexanecarboxylic acid (CAS: 98-89-5) safe?

Cyclohexanecarboxylic acid (CAS: 98-89-5) is generally considered safe when handled properly, but it may cause skin and eye irritation. Safety standards recommend using personal protective equipment (PPE) like gloves and safety goggles. It is not classified as a carcinogen, but prolonged exposure or ingestion should be avoided. Proper ventilation is essential during handling to ensure safety.

How should Cyclohexanecarboxylic acid (CAS: 98-89-5) be stored?

Cyclohexanecarboxylic acid (CAS: 98-89-5) should be stored in a cool, dry place, away from light, in airtight containers. It is stable under normal storage conditions but should be protected from moisture and heat to maintain quality. Storage in glass or plastic containers with sealed lids is recommended to prevent degradation or contamination.