2-n-Octyl-1-dodecanol - ≥90%(GC) , CAS No.5333-42-6

CAS: 5333-42-6 Cat. No.: N159239 Formula: C₂₀H₄₂O Peso molecolare: 298.56 Numero EC: 226-242-9

GRADE & PURITY ≥90%(GC)

Synonyms

3-01-00-01844 (Beilstein Handbook Reference) | MFCD01310428 | O0429 | Kalcohl 200G | Standamul G | Tox21_112351_1 | Octyldodecanol [NF] | Tox21_112351 | A870757 | Isofol 20 | OCTYLDODECANOL [USP-RS] | Q27258886 | BP-30229 | EC 226-242-9 | OCTYLDODECANOL [

Storage

Room temperature

Shipped In

Normal

Panoramica

2-Octyl-1-dodecanol is a branched alcohol.
Usually used to investigate its interaction with the hexameric capsules of resorcin[4]arene,and also 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

Sinonimi

3-01-00-01844 (Beilstein Handbook Reference) | MFCD01310428 | O0429 | Kalcohl 200G | Standamul G | Tox21_112351_1 | Octyldodecanol [NF] | Tox21_112351 | A870757 | Isofol 20 | OCTYLDODECANOL [USP-RS] | Q27258886 | BP-30229 | EC 226-242-9 | OCTYLDODECANOL [

Specifiche e purezza

≥90%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥90%(GC)

Nomi e identificatori

Pubchem Sid

488182691

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182691

Sorrisi canonici

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

Isomeri SMILES

CCCCCCCCCCC(CCCCCCCC)CO

Peso molecolare

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
• Descrizione: 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

Obiettivi associati (umani)

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

Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Plasmodium falciparum (966862 Activities)

Explore this target

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.45
• Punto di infiammabilità (°F): 370.4 °F
• Punto di infiammabilità (°C): 113°C(lit.)
• Punto di ebollizione (°C): 161°C/0.3mmHg(lit.)
• Punto di fusione (°C): -1~ 1 °C
• Peso molecolare: 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