Decahydronaphthalene - ≥99% , CAS No.91-17-8

CAS: 91-17-8 Cat. No.: D110689 Fórmula: C₁₀H₁₈ Peso molecular: 138.25 Beilstein Registry Number: 5,92 Número EC: 202-046-9

GRADE & PURITY ≥99%

Synonyms

Bicyclo[4.4.0]decane | cis-Decahydronaphthalene | DECAHYDRONAPHTHALENE | De-kalin | Naphthalane | Dekalina | CIS-DECALIN | TRANS-DECALIN | Perhydronaphthalene | Naphthan | trans-Decahydronaphthalene | Decalin | Naphthane | decahydro-Naphthalene

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Descripción general

Decahydronaphthalene, mixture of cis + trans has been used as a liquid phase to study the reaction rate of hydrogenation of cyclohexene in the presence of a Pd-Al/biomorphic carbon catalyst.

Specifications

Sinónimos

Bicyclo[4.4.0]decane | cis-Decahydronaphthalene | DECAHYDRONAPHTHALENE | De-kalin | Naphthalane | Dekalina | CIS-DECALIN | TRANS-DECALIN | Perhydronaphthalene | Naphthan | trans-Decahydronaphthalene | Decalin | Naphthane | decahydro-Naphthalene

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

FedEx DG Service

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 508812598
• Sonrisas canónicas: C1CCC2CCCCC2C1
• IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
• InChIKey: NNBZCPXTIHJBJL-UHFFFAOYSA-N
• INCHI: 1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2
• Isómeros SMILES: C1CCC2CCCCC2C1
• RTECS: QJ3150000
• Número ONU: 1147
• Grupo de embalaje: III
• Peso molecular: 138.25
• Beilstein: 5,92
• Reaxy-Rn: 878165
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878165&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Clase Polycyclic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: Polycyclic hydrocarbons
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polycyclic hydrocarbons
• Alternative Parents: Saturated hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Polycyclic hydrocarbon - Saturated hydrocarbon - Aliphatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as polycyclic hydrocarbons. These are polycyclic organic compounds made up only of carbon and hydrogen atoms.
• External Descriptors: ortho-fused bicyclic hydrocarbon

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

Objetivos asociados (humanos)

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Miscible with acetone, benzene, ether, methanol, aniline, decalin, chloroform, butanol and ethanol. Immiscible with water.
• Sensibilidad: Light, Air ,Heat Sensitive，Hygroscopic
• Índice de refracción: 1.474-1.476
• Punto de inflamación (°F): 134.6 °F
• Punto de inflamación (°C): 58℃
• Punto de ebullición (°C): 187°C
• Punto de fusión (°C): -31°C
• Peso molecular: 138.250 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 138.141 Da
• Monoisotopic Mass: 138.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 80.600
• 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