2-Octyl-1-dodecanol - ≥97% , CAS No.5333-42-6

CAS: 5333-42-6 Cat. No.: O471267 Fórmula: C₂₀H₄₂O Peso molecular: 298.56 Número CE: 226-242-9

GRADE & PURITY ≥97%

Synonyms

Kalcohl 200G | Standamul G | Isofol 20 | 2-n-octyl-1-dodecanol | 2-Octyldodecyl alcohol | Octyl dodecanol | 2-Octyldodecan-1-ol | Exxal 20 | 2-Octyldodecanol | 1-DODECANOL, 2-OCTYL- | Eutanol G | Octyldodecanol | Rilanit G 20 | 2-Octyl dodecanol

Storage

Room temperature,Desiccated

Shipped In

Normal

Visão geral

2-Octyl-1-dodecanol is a branched alcohol.2-Octyl-1-dodecanol may be used to investigate its interaction with the hexameric capsules of resorcin[4]arene. It has been used as diluent in a extractant screening study for the recovery of putrescine (butylene-1,4-diamine, BDA) and cadaverine (pentylene-1,5-diamine, PDA) from aqueous solutions (fermentation broths) by liquid-liquid extraction.

Specifications

Sinónimos

Kalcohl 200G | Standamul G | Isofol 20 | 2-n-octyl-1-dodecanol | 2-Octyldodecyl alcohol | Octyl dodecanol | 2-Octyldodecan-1-ol | Exxal 20 | 2-Octyldodecanol | 1-DODECANOL, 2-OCTYL- | Eutanol G | Octyldodecanol | Rilanit G 20 | 2-Octyl dodecanol

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504753035

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504753035

Sorrisos canónicos

CCCCCCCCCCC(CCCCCCCC)CO

IUPAC Name

2-octyldodecan-1-ol

InChIKey

LEACJMVNYZDSKR-UHFFFAOYSA-N

INCHI

1S/C20H42O/c1-3-5-7-9-11-12-14-16-18-20(19-21)17-15-13-10-8-6-4-2/h20-21H,3-19H2,1-2H3

SMILES isoméricas

CCCCCCCCCCC(CCCCCCCC)CO

Peso molecular

298.56

Reaxy-Rn

1763479

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1763479&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: 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
• Descrição: 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: 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

Alvos associados (humanos)

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

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.45
• Ponto de inflamação (°F): 370.4 °F
• Ponto de inflamação (°C): 113°C(lit.)
• Ponto de ebulição (°C): 161°C/0.3mmHg(lit.)
• Ponto de fusão (°C): -1~ 1 °C
• Peso molecular: 298.500 g/mol
• XLogP3: 9.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 17
• Exact Mass: 298.324 Da
• Monoisotopic Mass: 298.324 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 179.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1