1-Octadecanol - AR , CAS No.112-92-5

CAS: 112-92-5 Cat. No.: O105096 Formule: C₁₈H₃₈O Poids moléculaire: 270.49 Beilstein Registry Number: 1362907 Numéro CE: 204-017-6

QUALITÉ & PURETÉ AR

Synonyms

CO-1897 | EC 204-017-6 | STEARYL ALCOHOL 98/F | Usp xiii stearyl alcohol | Nacol 18-94 alcohol | DTXSID8026935 | Dytol E-46 | Lanette 18 DEO | Octanodecanol | Stearylalkohol | stearyl alcohol pure | Lorol 28 | Stearyl alcohol s | Adol 68 | EINECS 204-017-

Storage

Room temperature

Shipped In

Normal

Spécifications

Synonymes

CO-1897 | EC 204-017-6 | STEARYL ALCOHOL 98/F | Usp xiii stearyl alcohol | Nacol 18-94 alcohol | DTXSID8026935 | Dytol E-46 | Lanette 18 DEO | Octanodecanol | Stearylalkohol | stearyl alcohol pure | Lorol 28 | Stearyl alcohol s | Adol 68 | EINECS 204-017-

Spécifications et pureté

AR

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

AR

Noms et identifiants

Pubchem Sid

508812574

Sourires canoniques

CCCCCCCCCCCCCCCCCCO

IUPAC Name

octadecan-1-ol

InChIKey

GLDOVTGHNKAZLK-UHFFFAOYSA-N

INCHI

1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3

Isomères SMILES

CCCCCCCCCCCCCCCCCCO

RTECS

RG2010000

Numéro ONU

1986

Poids moléculaire

270.49

Beilstein

1362907

Reaxy-Rn

1362907

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1362907&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: a long-chain alcohol - a primary alcohol - a fatty alcohol

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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water, soluble in ethanol, ether, benzene, and chloroform.
• Sensibilité: Moisture sensitive.
• Indice de réfraction: 1.4346
• Point d'éclair (°F): 365℉
• Point d'éclair (°C): 185℃
• Point d'ébullition (°C): 170°C-210.5°C
• Point de fusion (°C): 59.4-59.8°C
• Poids moléculaire: 270.500 g/mol
• XLogP3: 8.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 16
• Exact Mass: 270.292 Da
• Monoisotopic Mass: 270.292 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 145.000
• 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