trans-4-Isopropylcyclohexanecarboxylic acid

Basic Information

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CAS Number

7077-05-6

Molecular Formula

C10H18O2

Molecular Weight

170.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

94.0 to 98.0 deg-C

Boiling Point

263.8℃ at 760 mmHg

Density

0.996

Flash Point

126.9 °C

SMILES

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CC(C)C1CCC(CC1)C(=O)O

InChI

InChI=1S/C10H18O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h7-9H,3-6H2,1-2H3,(H,11,12)/t8-,9-

InChIKey

YRQKWRUZZCBSIG-KYZUINATSA-N

LogP

2.5334000000000003

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

155

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

W-104541
EINECS 230-385-2
trans-p-Menthan-7-oic acid
T72718
CS-W023032
4-isopropyl cyclohexane carboxylic acid
NS00081006
A833561
A25074
cis-4-Isopropylcyclohexanecarboxylicacid
4-isopropylcyclohexane carboxylic acid
SY031424
FT-0636350
Nateglinide Impurity A
trans-4-Isopropylcyclohexanecarboxylic acid
YRQKWRUZZCBSIG-KYZUINATSA-N
SCHEMBL14620731
NSC28951
F2191-0123
trans-4-Isopropylcyclohexane carboxylic acid
7077-05-6
MFCD04004145
4-propan-2-ylcyclohexane-1-carboxylic acid
4-iso-Propylcyclohexanecarboxylic acid
trans-4-Isopropylcyclohexyl carboxylic acid
trans-4-(1-methylethyl)cyclohexanecarboxylic acid
YRQKWRUZZCBSIG-UHFFFAOYSA-N
SCHEMBL824154
NSC-28951
NSC 124041
SCHEMBL10270877

MDL Number

MFCD04004145

Customs Code

2916209090

FAQ

What are the physical and chemical properties of trans-4-Isopropylcyclohexanecarboxylic acid (CAS: 7077-05-6)?

Trans-4-Isopropylcyclohexanecarboxylic acid is a colorless solid with a melting point of about 88-90°C. Its molecular weight is approximately 164.25 g/mol. It is slightly soluble in water but miscible with common organic solvents. It is a reactive compound, particularly in esterification reactions. The compound is stable under normal conditions but requires storage in a cool, dry place to avoid degradation.

How is trans-4-Isopropylcyclohexanecarboxylic acid (CAS: 7077-05-6) typically synthesized?

Trans-4-Isopropylcyclohexanecarboxylic acid is typically synthesized through the reductive amination of 4-isopropylcyclohexanone with ammonia in the presence of a suitable reducing agent like sodium borohydride. The reaction is conducted at room temperature, and the yield is usually high, with good selectivity towards the trans-isomer. The process involves careful monitoring to ensure the desired product is formed.

What industries use trans-4-Isopropylcyclohexanecarboxylic acid (CAS: 7077-05-6)?

Trans-4-Isopropylcyclohexanecarboxylic acid finds use in various industries due to its unique chemical properties. It is commonly used in the pharmaceutical industry for the synthesis of certain drugs. In the polymer industry, it can be incorporated into polymers to improve their mechanical properties. Additionally, it is utilized in the production of sensors and semiconductors for its specific reactivity and stability.

What precautions should be taken when handling trans-4-Isopropylcyclohexanecarboxylic acid (CAS: 7077-05-6)?

When handling trans-4-Isopropylcyclohexanecarboxylic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place, away from direct sunlight and heat sources. Spills should be handled with care using appropriate absorbents and following standard safety procedures. Always refer to the safety data sheet (SDS) for detailed information on handling, storage, and emergency procedures.