2-Ethyl-1-hexanol - Standard for GC, ≥99.5%(GC) , CAS No.104-76-7

CAS: 104-76-7 Cat. No.: E101075 Fórmula: C₈H₁₈O Peso molecular: 130.23 Beilstein Registry Number: 1719280 Número CE: 203-234-3

GRAU & PUREZA Standard for GC, ≥99.5%(GC)

Synonyms

2-Ethyl-1-hexanol, >=99%, FG | CHEBI:16011 | D72516 | FEMA No. 3151 | LMFA05000703 | NCGC00259620-01 | 2-Ethyl-1-hexanol, >=99.6% | 2-Ethylhexyl alcohol | HMS2268N10 | 2-ETHYLHEXANOL [INCI] | 2-ETHYL-1-HEXANOL [HSDB] | 2-Ethyl-1-hexanol, >=99% | 2-Ethylhe

Storage

Room temperature

Shipped In

Normal

Especificações

Sinónimos

2-Ethyl-1-hexanol, >=99%, FG | CHEBI:16011 | D72516 | FEMA No. 3151 | LMFA05000703 | NCGC00259620-01 | 2-Ethyl-1-hexanol, >=99.6% | 2-Ethylhexyl alcohol | HMS2268N10 | 2-ETHYLHEXANOL [INCI] | 2-ETHYL-1-HEXANOL [HSDB] | 2-Ethyl-1-hexanol, >=99% | 2-Ethylhe

Especificações e pureza

Standard for GC, ≥99.5%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Grau

Standard for GC

Pureza

≥99.5%(GC)

Nomes e identificadores

Pubchem Sid

508813518

Sorrisos canónicos

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

SMILES isoméricas

CCCCC(CC)CO

WGK Alemanha

2

Número UN

1986

Grupo de embalagem

I

Peso molecular

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
    • 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
• Descrição: 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

Alvos associados (humanos)

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

Discover Target: PPARG

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

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

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

Alvos associados (não humanos)

Oryctolagus cuniculus (11301 Activities)

Explore this target

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

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

Mecanismos de ação

Propriedades químicas e físicas

• Índice de refração: 1.431
• Ponto de inflamação (°C): 75 °C
• Ponto de ebulição (°C): 183-186°C
• Ponto de fusão (°C): -76°C
• Peso molecular: 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