1-Nonadécanol - ≥98%(GC) , CAS No.1454-84-8

CAS: 1454-84-8 Cat. No.: N159071 Formule: C₁₉H₄₀O Poids moléculaire: 284.53 Beilstein Registry Number: 1758190 Numéro CE: 215-930-4

GRADE & PURITY ≥98%(GC)

Synonyms

n-Nonadecanol-1 | A465X576KO | n-nonadecyl alcohol | Nonadecan-1-ol | 1-NONADECANOL | AI3-36471 | FT-0608161 | UNII-A465X576KO | C19H40O | PD167317 | Q27273608 | HY-W004297 | AMY5925 | J-008118 | SCHEMBL103937 | 1-Nonadecanol; Nonadecyl alcohol; n-1-Nonad

Storage

Room temperature

Shipped In

Normal

Application

228,229

Vue d’ensemble

C'est l'un des constituants de l'huile essentielle de dioxyde de carbone supercritique (SC-CO2) des parties aériennes fraîchement collectées d'Heracleum thomsonii (Umbeliferae).
Il a été utilisé comme étalon interne dans l'étude du coprostanol dans les sédiments.

Specifications

Synonymes

n-Nonadecanol-1 | A465X576KO | n-nonadecyl alcohol | Nonadecan-1-ol | 1-NONADECANOL | AI3-36471 | FT-0608161 | UNII-A465X576KO | C19H40O | PD167317 | Q27273608 | HY-W004297 | AMY5925 | J-008118 | SCHEMBL103937 | 1-Nonadecanol; Nonadecyl alcohol; n-1-Nonad

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488185835

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185835

Sourires canoniques

CCCCCCCCCCCCCCCCCCCO

IUPAC Name

nonadecan-1-ol

InChIKey

XGFDHKJUZCCPKQ-UHFFFAOYSA-N

INCHI

1S/C19H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h20H,2-19H2,1H3

Isomères SMILES

CCCCCCCCCCCCCCCCCCCO

WGK Allemagne

3

Poids moléculaire

284.53

Beilstein

1758190

Reaxy-Rn

1758190

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1758190&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty alcohols
• Alternative Parents: Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long chain fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 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

Propriétés chimiques et physiques

• Point de fusion (°C): 62 °C
• Poids moléculaire: 284.500 g/mol
• XLogP3: 8.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 17
• Exact Mass: 284.308 Da
• Monoisotopic Mass: 284.308 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 156.000
• 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