1-Octadecanol - ≥99% , CAS No.112-92-5

CAS: 112-92-5 Cat. No.: O105097 Fórmula: C₁₈H₃₈O Peso molecular: 270.49 Beilstein Registry Number: 1362907 Número CE: 204-017-6

GRAU & PUREZA ≥99%

Synonyms

Octadecyl alcohol|Stearyl alcohol|1-Hydroxyoctadecane

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

Octadecyl alcohol | Stearyl alcohol | 1-Hydroxyoctadecane

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

488180733

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180733

Sorrisos canónicos

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

SMILES isoméricas

CCCCCCCCCCCCCCCCCCO

RTECS

RG2010000

Número UN

1986

Peso molecular

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
• Descrição: 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

Alvos associados (humanos)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Cryz Quinone oxidoreductase (288 Activities)

Discover Target: Cryz

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Staphylococcus aureus (210822 Activities)

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Cutibacterium acnes (887 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Colletotrichum gloeosporioides (560 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water, soluble in ethanol, ether, benzene, and chloroform.
• Sensibilidade: Moisture sensitive.
• Índice de refração: 1.4346
• Ponto de inflamação (°F): 365℉
• Ponto de inflamação (°C): 185℃
• Ponto de ebulição (°C): 170°C-210.5°C
• Ponto de fusão (°C): 59.4-59.8°C
• Peso molecular: 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