1,4-Cyclohexanedicarboxylic acid

Basic Information

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CAS Number

1076-97-7

Molecular Formula

C8H12O4

Molecular Weight

172.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

164-167 °C

Boiling Point

262.49°C (rough estimate)

Flash Point

235℃

Refractive Index

1.4450 (estimate)

SMILES

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C1CC(CCC1C(=O)O)C(=O)O

InChI

InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)

InChIKey

PXGZQGDTEZPERC-UHFFFAOYSA-N

LogP

0.962

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

169

Safety Information

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GHS Hazard Pictograms

H302

H319

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

1,4-Cyclohexanedicarboxylic Acid
CHDA
1,4-Cyclohexanedicarboxylic acid((cis)- and trans- mixture)
1,4-Cyclohexanedicarboxylic Acid (cis- and trans- mixture)
1,4-chda-hp
1,4-Cyclohexanedicar
1,4-Cyclohexanedicarboxylic Acid, Mixture of Cis And Trans
1,4-cyclohexanedioic acid
1,4-Dicarboxycyclohexane
1,4-trans-cyclohexyldicarboxylic acid
cis
Cyclohexane-1,4-dicarboxylic
cyclohexane-1,4-dicarboxylic acid
hexahydroterephthalic acid
hexahydro-terephthalicaci
RARECHEM AL BO 1296
Terephthalic acid,hexahydro
trans cyclohexane-1,4-dicarboxylic acid
trans-1,4-cyclohexanecarboxylic acid
1,4-CHDA
TIMTEC-BB SBB008430
1, 4 - ring of adipic acid
1,4-CHDA-HP
HEXAHYDROTEREPHTHALIC ACID

MDL Number

MFCD00001465

FAQ

What is 1,4-Cyclohexanedicarboxylic acid (CAS: 1076-97-7)?

1,4-Cyclohexanedicarboxylic acid, with the CAS number 1076-97-7, is a cyclic dicarboxylic acid containing two carboxylic acid groups at positions 1 and 4 of a six-membered ring. It is a white crystalline solid with a high melting point and is known for its stability under normal conditions. This compound is commonly used in chemical synthesis as a building block for various organic compounds.

What are the main uses of 1,4-Cyclohexanedicarboxylic acid (CAS: 1076-97-7)?

1,4-Cyclohexanedicarboxylic acid is widely used in the pharmaceutical industry for the synthesis of drugs and intermediates. It also serves as a precursor in the production of polyesters, coatings, and other industrial materials. Additionally, it finds applications in research for developing new chemical compounds and in food-related industries as a flavoring agent or additive.

Is 1,4-Cyclohexanedicarboxylic acid (CAS: 1076-97-7) safe?

1,4-Cyclohexanedicarboxylic acid is generally considered safe when handled properly. However, it is important to follow standard safety protocols, such as wearing protective gloves and goggles, to avoid skin or eye contact. Ingestion or inhalation should be avoided, and appropriate safety standards must be adhered to in industrial and laboratory settings to ensure safe use.

How should 1,4-Cyclohexanedicarboxylic acid (CAS: 1076-97-7) be stored?

1,4-Cyclohexanedicarboxylic acid should be stored in a cool, dry, and well-ventilated place, away from direct sunlight. It is best kept in a sealed container to prevent moisture absorption. Storage at temperatures below 25°C is recommended to maintain stability. Avoid exposure to high humidity and ensure proper labeling to ensure safe handling and storage.