Decahydronaphthalene - Standard for GC, ≥99.7%(GC), minxture of cis and trans isomer , CAS No.91-17-8

CAS: 91-17-8 Cat. No.: D110688 Formula: C₁₀H₁₈ Molecular Weight: 138.25 Beilstein Registry Number: 5,92 EC Number: 202-046-9

GRADE & PURITY Standard for GC, ≥99.7%(GC), minxture of cis and trans isomer

Synonyms

Bicyclo[4.4.0]decane | CAS-91-17-8 | Dekahydronaphthalin | Naphthalene, decahydro-, trans- | 3-05-00-00245 (Beilstein Handbook Reference) | Decahydronaphthalene, (Z)- | DTXCID304912 | trans-Decahydronaphthalene, 99% | HSDB 287 | NSC 77452 | NSC406139 | NS

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

Bicyclo[4.4.0]decane | CAS-91-17-8 | Dekahydronaphthalin | Naphthalene, decahydro-, trans- | 3-05-00-00245 (Beilstein Handbook Reference) | Decahydronaphthalene, (Z)- | DTXCID304912 | trans-Decahydronaphthalene, 99% | HSDB 287 | NSC 77452 | NSC406139 | NS

Specifications & Purity

Standard for GC, ≥99.7%(GC), minxture of cis and trans isomer

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Grade

Standard for GC

Purity

≥99.7%(GC)

Names and Identifiers

• Pubchem Sid: 508812596
• Canonical Smiles: 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
• Isomeric SMILES: C1CCC2CCCCC2C1
• RTECS: QJ3150000
• UN Number: 1147
• Packing Group: III
• Molecular Weight: 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
    • Class Polycyclic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light, Air ,Heat Sensitive
• x_refractive_index: 1.474-1.476
• x_flash_point_drop_fahrenheit: 134.6 °F
• x_flash_point_drop_centigrade: 58℃
• x_boil_point_char: 187°C
• x_melt_point_char: -31°C
• Molecular Weight: 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