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

CAS: 701-97-3 Cat. No.: C106974 분자식: C₉H₁₆O₂ 분자량: 156.22 Beilstein Registry Number: 2042799 EC 번호: 211-861-9

등급 & 순도 ≥99%

Storage

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

Shipped In

Wet ice

개요

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

사양

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

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

보관 조건

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

배송

Wet ice

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순수함

≥99%

이름과 식별자

Pubchem Sid

488184389

Pubchem Sid Url

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

정식 스마일

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)

이성체 SMILES

C1CCC(CC1)CCC(=O)O

WGK 독일

3

분자량

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
    • 분류 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in water 10g/ L.
• 감도: Light & air sensitive.
• 동결점(°C): 16 °C
• 굴절률: 1.464
• 발화점(°F): 266℉
• 발화점(°C): 130℃
• 끓는점(°C): 275.7°C
• 녹는점(°C): 14-17°C
• 분자량: 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

자주 묻는 질문

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.