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

CAS: 1454-84-8 Cat. No.: N159071 Formula: C₁₉H₄₀O Molecular Weight: 284.53 Beilstein Registry Number: 1758190 EC Number: 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

Overview

It is one of the constituents of supercritical carbon dioxide (SC-CO2) essential oil of freshly collected aerial parts of Heracleum thomsonii (Umbeliferae).
It was used as an internal standard in the study of coprostanol in sediments.

Specifications

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

Specifications & Purity

≥98%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

Pubchem Sid

488185835

Pubchem Sid Url

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

Canonical Smiles

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCO

WGK Germany

3

Molecular Weight

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
    • Class Fatty Acyls
      • Subclass Fatty alcohols

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

Chemical and Physical Properties

• x_melt_point_char: 62 °C
• Molecular Weight: 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