3-Cyclohexanepropionic acid - ≥99% , CAS No.701-97-3

CAS: 701-97-3 Cat. No.: C106974 Fórmula: C₉H₁₆O₂ Peso molecular: 156.22 Beilstein Registry Number: 2042799 Número CE: 211-861-9

GRAU & PUREZA ≥99%

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Visão geral

3-Cyclohexanepropionic acid can be used: 
• As a starting material in the synthesis of 2-[(1,2,4-triazol-3-yl)thio]acetamide derivatives for in vitro paraoxonase-1 (PON1) studies.
• To synthesize chemical intermediates such as cyclohexanepropanenitrile 
cyclohexanepropanamide , cyclohexanepropanol, and 1-oxaspiro  decan-2-one

Especificações

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

3-Cyclohexanepropionic acid facilitates oral delivery of cromolyn via permeation across/through the membrane in rats.

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488184389

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184389

Sorrisos canónicos

C1CCC(CC1)CCC(=O)O

IUPAC Name

3-cyclohexylpropanoic acid

InChIKey

HJZLEGIHUQOJBA-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

C1CCC(CC1)CCC(=O)O

WGK Alemanha

3

Peso molecular

156.22

Beilstein

2042799

Reaxy-Rn

2042799

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042799&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbocyclic fatty acids
• Alternative Parents: Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Carbocyclic fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carbocyclic fatty acids. These are fatty acids containing a carbocyclic ring .
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Solubilidade: Soluble in water 10g/ L.
• Sensibilidade: Light & air sensitive.
• Ponto de congelamento (°C): 16 °C
• Índice de refração: 1.464
• Ponto de inflamação (°F): 266℉
• Ponto de inflamação (°C): 130℃
• Ponto de ebulição (°C): 275.7°C
• Ponto de fusão (°C): 14-17°C
• Peso molecular: 156.220 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 156.115 Da
• Monoisotopic Mass: 156.115 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 126.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 701-97-3, the molecular formula is C9H16O2, and the molecular weight is 156.22 g/mol. InChIKey HJZLEGIHUQOJBA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.