1-Dodecanol - ACS, ≥98% , CAS No.112-53-8

CAS: 112-53-8 Cat. No.: D431501 Summenformel: C₁₂H₂₆O Molekulargewicht: 186.33 Beilstein Registry Number: 1738860 EG-Nummer: 203-982-0

GRADE & PURITY ACS, ≥98%

Synonyms

Dodecyl alcohol | laurylalcohol | Adol 10 | 1DO | AI3-00309 | LAUREX NC | Laurinic alcohol | Lorol C 12 | Philcohol 1200 | EC 203-982-0 | Lorol 5 | 1-DODECANOL | CO 12 | FEMA No. 2617 | Undecyl carbinol | 1-Dodecanol, analytical standard | 1-Hydroxydodeca

Storage

Room temperature

Application

228,229

Übersicht

1-Dodecanol is a long chain alkyl alcohol. Its density and viscosity over a temperature range, 303.15 to 323.15K have been determined. The thermodynamics of the interaction between 1-dodecanol and sodium dodecyl sulfate (SDS) micellar solutions has been reported. This solvent meets ACS specifications and can be used for processes requiring strict quality conditions such as analytical testing.

Application

1-Dodecanol may be used in the synthesis of the following: Monododecyl glyceryl ethers via etherification by reacting with glycerol in the presence of 10mol% of 1-bromododecane. ω- and (ω-1)-Hydroxy derivatives via hydroxylation reaction catalyzed by frog liver microsomes. Dodecanal via oxidation in the presence of sodium bromate and ruthenium catalyst. It may be used to extract polycyclic aromatic hydrocarbons (PAHs) from water samples via dispersive liquid-liquid microextraction technique.

Specifications

Synonyme

Dodecyl alcohol | laurylalcohol | Adol 10 | 1DO | AI3-00309 | LAUREX NC | Laurinic alcohol | Lorol C 12 | Philcohol 1200 | EC 203-982-0 | Lorol 5 | 1-DODECANOL | CO 12 | FEMA No. 2617 | Undecyl carbinol | 1-Dodecanol, analytical standard | 1-Hydroxydodeca

Spezifikationen & Reinheit

ACS, ≥98%

Storage

Room temperature

Note

ACS

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504751623

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751623

Kanonisches Lächeln

CCCCCCCCCCCCO

IUPAC Name

dodecan-1-ol

InChIKey

LQZZUXJYWNFBMV-UHFFFAOYSA-N

INCHI

1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3

Isomere SMILES

CCCCCCCCCCCCO

WGK Deutschland

1

RTECS

JR5775000

UN-Nummer

3077(international)

Verpackungsgruppe

III

Molekulargewicht

186.33

Beilstein

1738860

Reaxy-Rn

1738860

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738860&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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: 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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: water: slightly soluble 1g/L at23°C
• Gefrierpunkt (°C): 23 °C
• Brechungsindex: 1.428
• Flammpunkt (°C): ＞100℃
• Siedepunkt (°C): 255-259°C
• Schmelzpunkt (°C): 24°C
• Molekulargewicht: 186.330 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 186.198 Da
• Monoisotopic Mass: 186.198 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 81.200
• 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