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

CAS: 112-53-8 Cat. No.: D431501 분자식: C₁₂H₂₆O 분자량: 186.33 Beilstein Registry Number: 1738860 EC 번호: 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

개요

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

동의어

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

사양 및 순도

ACS, ≥98%

보관 조건

Room temperature

등급

ACS

순수함

≥98%

이름과 식별자

Pubchem Sid

504751623

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

CCCCCCCCCCCCO

WGK 독일

1

RTECS

JR5775000

UN 번호

3077(international)

포장 그룹

III

분자량

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
    • 분류 Fatty Acyls
      • Subclass Fatty alcohols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

관련 대상(비인간)

Staphylococcus aureus (210822 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Cutibacterium acnes (887 Activities)

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Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

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작용 메커니즘

화학 및 물리적 특성

• 용해성: water: slightly soluble 1g/L at23°C
• 동결점(°C): 23 °C
• 굴절률: 1.428
• 발화점(°C): ＞100℃
• 끓는점(°C): 255-259°C
• 녹는점(°C): 24°C
• 분자량: 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