Potassium oleate - CP , CAS No.143-18-0

CAS: 143-18-0 Cat. No.: P100097 分子式: CH₃(CH₂)₇CH=CH(CH₂)₇COOK 分子量: 320.55 Beilstein Registry Number: 4167152 EC番号: 205-590-5

グレード＆純度 CP

Synonyms

O0056 | POTASSIUM OLEATE [MI] | 9-Octadecenoic acid (Z)-, potassium salt | Oleic acid potassium salt | EINECS 205-590-5 | C18H33KO2 | Trenamine D-201 | HSDB 5643 | POTASSIUM CIS-9-OCTADECENOIC ACID | DTXSID0025949 | EPA Pesticide Chemical Code 079095 | po

Storage

Room temperature

Shipped In

Normal

仕様

同義語

O0056 | POTASSIUM OLEATE [MI] | 9-Octadecenoic acid (Z)-, potassium salt | Oleic acid potassium salt | EINECS 205-590-5 | C18H33KO2 | Trenamine D-201 | HSDB 5643 | POTASSIUM CIS-9-OCTADECENOIC ACID | DTXSID0025949 | EPA Pesticide Chemical Code 079095 | po

仕様と純度

CP

保管条件

Room temperature

入荷

Normal

等級

CP

名前と識別子

パブケム・シド

488200409

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488200409

カノニカル・スマイル

CCCCCCCCC=CCCCCCCCC(=O)[O-].[K+]

IUPAC Name

potassium;(Z)-octadec-9-enoate

InChIKey

MLICVSDCCDDWMD-KVVVOXFISA-M

INCHI

1S/C18H34O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9-;

異性体SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[K+]

RTECS

RK1150000

分子量

320.55

Beilstein

4167152

Reaxy-Rn

27800672

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27800672&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Unsaturated fatty acids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Unsaturated fatty acid - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• 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

関連ターゲット（人間）

FABP3 Tchem Fatty acid-binding protein, heart (1 Activities)

Discover Target: FABP3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water, ethanol, alcohol
• 感度: Moisture sensitive.
• 引火点（°C）: 140°C
• 分子量: 320.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 320.212 Da
• Monoisotopic Mass: 320.212 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 239.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3