cis-13-Docosenol - ≥98%(GC) , CAS No.629-98-1

CAS: 629-98-1 Cat. No.: C154114 Summenformel: C₂₂H₄₄O Molekulargewicht: 324.59

GRADE & PURITY ≥98%(GC)

Synonyms

1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl- | T71154 | NSC 2311 | Erucyl alcohol | 13-Docosen-1-ol, (Z)- | 13-Docosen-1-ol, (13Z)- | Mertect | DTXSID701026591 | NSC-2311 | thiosalicylate | (13Z)-13-Docosen-1-ol # | (13Z)-docosenol | cis-13-docosen-1-ol

Storage

Argon charged,Room temperature

Shipped In

Normal

Application

228,229

Specifications

Synonyme

1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl- | T71154 | NSC 2311 | Erucyl alcohol | 13-Docosen-1-ol, (Z)- | 13-Docosen-1-ol, (13Z)- | Mertect | DTXSID701026591 | NSC-2311 | thiosalicylate | (13Z)-13-Docosen-1-ol # | (13Z)-docosenol | cis-13-docosen-1-ol

Spezifikationen & Reinheit

≥98%(GC)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

Pubchem Sid

488195392

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195392

Kanonisches Lächeln

CCCCCCCCC=CCCCCCCCCCCCCO

IUPAC Name

(Z)-docos-13-en-1-ol

InChIKey

CFOQKXQWGLAKSK-KTKRTIGZSA-N

INCHI

1S/C22H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h9-10,23H,2-8,11-22H2,1H3/b10-9-

Isomere SMILES

CCCCCCCC/C=C\CCCCCCCCCCCCO

Molekulargewicht

324.59

Reaxy-Rn

1727026

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1727026&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
• External Descriptors: long-chain primary fatty alcohol - fatty alcohol 22:1

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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air sensitive;Light sensitive
• Siedepunkt (°C): 225 °C
• Schmelzpunkt (°C): 33 °C
• Molekulargewicht: 324.600 g/mol
• XLogP3: 9.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 19
• Exact Mass: 324.339 Da
• Monoisotopic Mass: 324.339 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 222.000
• 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: 1