2041-29-4

Basic information

• Product Name: 1,5-Cyclohexadiene-1-valericacid,3,4-dioxo-(7CI,8CI)
• Synonyms: 1,5-Cyclohexadiene-1-valericacid,3,4-dioxo-(7CI,8CI)
• CAS NO: 2041-29-4
• Molecular Formula: C₁₁H₁₂O₄
• Molecular Weight: 208.21058
• Product Categories: ALCOHOL
• Mol File: 2041-29-4.mol
• Article Data: 0

Chemical Properties

• Melting Point: 75 °C (decomp)
• Boiling Point: 409.8±37.0 °C(Predicted)
• Appearance: /
• Density: 1.256±0.06 g/cm3(Predicted)
• PKA: 4.73±0.10(Predicted)
• CAS DataBase Reference: 1,5-Cyclohexadiene-1-valericacid,3,4-dioxo-(7CI,8CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1,5-Cyclohexadiene-1-valericacid,3,4-dioxo-(7CI,8CI)(2041-29-4)
• EPA Substance Registry System: 1,5-Cyclohexadiene-1-valericacid,3,4-dioxo-(7CI,8CI)(2041-29-4)

Safety Data

• Hazardous Substances Data: 2041-29-4(Hazardous Substances Data)

Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule. In this case, the compound has 11 carbon (C) atoms, 14 hydrogen (H) atoms, and 4 oxygen (O) atoms.

Explanation

The compound consists of a six-membered cyclohexene ring, which is a type of aromatic ring, and a valeric acid side chain, which is a four-carbon aliphatic chain with a carboxylic acid group at the end.
3. Carboxylic Acid Derivative

Explanation

The compound has a carboxylic acid functional group (-COOH) present in the valeric acid side chain, making it a derivative of a carboxylic acid.

Explanation

Due to its structural and functional properties, 1,5-Cyclohexadiene-1-valeric acid, 3,4-dioxo-(7CI,8CI) may be used as a building block in the synthesis of various pharmaceuticals and organic compounds.
5. Biological and Pharmacological Activities

Explanation

The compound may have biological and pharmacological activities, making it a subject of interest for further research and development in the fields of medicine and drug discovery.

Explanation

These are alternative names for the compound, which can be used interchangeably to refer to the same chemical structure.

Explanation

CAS (Chemical Abstracts Service) numbers are unique numerical identifiers assigned to chemical compounds for easy identification and reference. In this case, the compound has two CAS numbers, 7CI and 8CI.

Structure

Cyclohexene ring with a valeric acid side chain

Potential Applications

Pharmaceutical and chemical industries

Synonyms

1,5-Cyclohexadiene-1-valeric acid, 3,4-dioxo (7CI, 8CI)

Upstream product

• 31129-94-9 5-(3′,4′,5′-trihydroxyphenyl)valeric acid