2-Ethyl-1-hexanol - analytical standard, ≥99.5% , CAS No.104-76-7

CAS: 104-76-7 Cat. No.: E101080 分子式: C₈H₁₈O 分子量: 130.23 Beilstein Registry Number: 1719280 EC番号: 203-234-3

グレード＆純度 Analytical standard, ≥99.5%

Synonyms

2-Ethylhexyl alcohol|2-ETHYLHEXANOL [INCI]|2-ETHYL-1-HEXANOL [HSDB]|xi-2-Ethyl-1-hexanol|Ethylhexanol, 2-|(r)-2-ethylhexanol|2-ETHYL-1-HEXANOL [FHFI]|2-ETHYL-1-HEXANOL|2-ethyl1-hexanol|2-ethyhexanol|2-Aethylhexanol [German]|2-ethyl hexyl alcohol|(+/-)-2-ETHYL-1-HEXANOL-|2-Aethylhexanol|2-ETHYLHEXAN-1-OL [USP-RS]|Ethylhexanol|2-Ethyl-hexan-1-ol|2-Ethylhexan-1-ol|2-ethylhexylalcohol|Alcohol, 2-ethylhexyl|2-ethyl 1-hexanol|2-Ethylhexanol|2-ethyl-hexanol|1-Hexanol, 2-ethyl-|(+/-)-2-ethylhexanol|2-ETHYL-1-HEXANOL [MI]|2-ETHYL HEXANOL [FCC]|Alcohols,c7-9-iso-,c8-rich

Storage

Room temperature

Shipped In

Normal

仕様

同義語

2-Ethylhexyl alcohol | 2-ETHYLHEXANOL [INCI] | 2-ETHYL-1-HEXANOL [HSDB] | xi-2-Ethyl-1-hexanol | Ethylhexanol, 2- | (r)-2-ethylhexanol | 2-ETHYL-1-HEXANOL [FHFI] | 2-ETHYL-1-HEXANOL | 2-ethyl1-hexanol | 2-ethyhexanol | 2-Aethylhexanol [German] | 2-ethyl hexyl alcohol | (+/-)-2-ETHYL-1-HEXANOL- | 2-Aethylhexanol | 2-ETHYLHEXAN-1-OL [USP-RS もっと見る

仕様と純度

analytical standard, ≥99.5%

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

純度

≥99.5%

名前と識別子

パブケム・シド

528771817

カノニカル・スマイル

CCCCC(CC)CO

IUPAC Name

2-ethylhexan-1-ol

InChIKey

YIWUKEYIRIRTPP-UHFFFAOYSA-N

INCHI

1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3

異性体SMILES

CCCCC(CC)CO

WGKドイツ

2

UN番号

1986

包装グループ

I

分子量

130.23

Beilstein

1719280

Reaxy-Rn

1719280

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719280&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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 primary 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

関連ターゲット（人間）

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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関連ターゲット（非人間）

Oryctolagus cuniculus (11301 Activities)

Explore this target

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

Discover Target: Trpa1

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

作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.431
• 引火点（°C）: 75 °C
• 沸点（°C）: 183-186°C
• 融点（°C）: -76°C
• 分子量: 130.229 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 130.136 Da
• Monoisotopic Mass: 130.136 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 52.500
• 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