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

CAS: 112-92-5 Cat. No.: O105097 분자식: C₁₈H₃₈O 분자량: 270.49 Beilstein Registry Number: 1362907 EC 번호: 204-017-6

등급 & 순도 ≥99%

Synonyms

Octadecyl alcohol|Stearyl alcohol|1-Hydroxyoctadecane

Storage

Room temperature

Shipped In

Normal

사양

동의어

Octadecyl alcohol | Stearyl alcohol | 1-Hydroxyoctadecane

사양 및 순도

≥99%

보관 조건

Room temperature

배송

Normal

순수함

≥99%

이름과 식별자

Pubchem Sid

488180733

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

CCCCCCCCCCCCCCCCCCO

RTECS

RG2010000

UN 번호

1986

분자량

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
    • 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: 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
• 설명: 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

관련 대상(인간)

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

Discover Target: APEX1

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LMNA Tbio Prelamin-A/C (36751 Activities)

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GMNN Tbio Geminin (128009 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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관련 대상(비인간)

Hdac6 Histone deacetylase 6 (222 Activities)

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Cryz Quinone oxidoreductase (288 Activities)

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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)

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Colletotrichum gloeosporioides (560 Activities)

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FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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작용 메커니즘

화학 및 물리적 특성

• 용해성: Insoluble in water, soluble in ethanol, ether, benzene, and chloroform.
• 감도: Moisture sensitive.
• 굴절률: 1.4346
• 발화점(°F): 365℉
• 발화점(°C): 185℃
• 끓는점(°C): 170°C-210.5°C
• 녹는점(°C): 59.4-59.8°C
• 분자량: 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