3-Cyclohexylpropanoic acid

Basic Information

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CAS Number

701-97-3

Molecular Formula

C9H16O2

Molecular Weight

156.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

14-17 °C

Boiling Point

268°C

Density

0.912 g/mL at 25 °C

Refractive Index

n20/D 1.464(lit.)

SMILES

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C1CCC(CC1)CCC(=O)O

InChI

InChI=1S/C9H16O2/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,10,11)

InChIKey

HJZLEGIHUQOJBA-UHFFFAOYSA-N

LogP

2.4315000000000007

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

126

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Sensitiveness

Light sensitive

Synonyms & References

English

F2191-0095
Cyclohexanepropionic acid
EN300-20695
3-Cyclohexylpropionic ccid
EC 211-861-9
701-97-3
Cyclohexanepropanoic acid
AI3-14244
3-Cyclohexanepropionic acid; 3-Cyclohexanepropanoic Acid;3-Cyclohexylpropionic Acid
CYCLOHEXANE PROPIONIC ACID
cyclohexylethylcarboxylic acid
3-cyclohexyl propionic acid
H10698
Cyclohexane-propionic acid
NSC 404945
3-Cyclohexylpropionic acid
U36W9HNV6D
.beta.-Cyclohexylpropionic acid
TS-02075
W-104565
UNII-U36W9HNV6D
AMY3571
BCP30878
3-Cyclohexylpropanoic acid;3-Cyclohexyl propionic acid
A866655
3-cyclohexyl-propionic acid
MFCD00001527
NSC404945
Z104479892
DB02242
CXP

MDL Number

MFCD00001527

Customs Code

29162000

FAQ

What are the physical and chemical properties of 3-Cyclohexylpropanoic acid (CAS: 701-97-3)?

3-Cyclohexylpropanoic acid is a white crystalline solid with a molecular weight of approximately 164.26 g/mol. It has a high melting point of about 137°C and is sparingly soluble in water but soluble in organic solvents. Chemically, it is mildly reactive and can undergo esterification and other acid-base reactions.

How is 3-Cyclohexylpropanoic acid (CAS: 701-97-3) typically synthesized?

3-Cyclohexylpropanoic acid is typically synthesized via the reaction of cyclohexanol with acetic anhydride in the presence of an acid catalyst such as sulfuric acid. The process involves acylation to form the corresponding acid, followed by purification steps to isolate the product.

What industries use 3-Cyclohexylpropanoic acid (CAS: 701-97-3)?

3-Cyclohexylpropanoic acid is used in the pharmaceutical industry for the synthesis of certain drugs, as a chemical intermediate in the production of polymers, and in the development of sensors and semiconductors due to its reactivity and structural properties.

What precautions should be taken when handling 3-Cyclohexylpropanoic acid (CAS: 701-97-3)?

When handling 3-Cyclohexylpropanoic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a dry, cool place away from direct sunlight and heat sources. Spills should be cleaned up with appropriate techniques, and exposure to the substance should be avoided. Always refer to the Safety Data Sheet (SDS) for detailed safety instructions.