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

CAS: 701-97-3 Cat. No.: C106974 Formule: C₉H₁₆O₂ Poids moléculaire: 156.22 Beilstein Registry Number: 2042799 Numéro CE: 211-861-9

GRADE & PURITY ≥99%

Synonyms

FT-0615570 | H10698 | CXP | Q27093281 | AMY3571 | Cyclohexanepropanoic acid | NSC 404945 | BCP30878 | EN300-20695 | F2191-0095 | 3-Cyclohexanepropionic acid | 3-cyclohexyl propionic acid | 3-cyclohexanepropanoic acid | A866655 | DB02242 | Cyclohexanepropi

Storage

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

Shipped In

Wet ice

Vue d’ensemble

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

Specifications

Synonymes

FT-0615570 | H10698 | CXP | Q27093281 | AMY3571 | Cyclohexanepropanoic acid | NSC 404945 | BCP30878 | EN300-20695 | F2191-0095 | 3-Cyclohexanepropionic acid | 3-cyclohexyl propionic acid | 3-cyclohexanepropanoic acid | A866655 | DB02242 | Cyclohexanepropi

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

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

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99%

Noms et identifiants

• Pubchem Sid: 488184389
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184389
• Sourires canoniques: 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)
• Isomères SMILES: C1CCC(CC1)CCC(=O)O
• WGK Allemagne: 3
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water 10g/ L.
• Sensibilité: Light & air sensitive.
• Point de congélation (°C): 16 °C
• Indice de réfraction: 1.464
• Point d'éclair (°F): 266℉
• Point d'éclair (°C): 130℃
• Point d'ébullition (°C): 275.7°C
• Point de fusion (°C): 14-17°C
• Poids moléculaire: 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

Références

1. Hongwei Ren, Yize Liu, Ruoyao Zhang, Yi Zheng, Tengda Zhao, Jing Han, Chunmao Chen, Erhong Duan.  (2023)  Near-infrared carbon quantum dots from PEG-based deep eutectic solvents for high-accuracy quantitative analysis of naphthenic acids in wastewater.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2023.109988]

Foire aux questions

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.