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Decahydronaphthalene - 98%, high purity , CAS No.91-17-8
Basic Description
Synonyms
DECAHYDRONAPHTHALENE | Decalin | cis-Decahydronaphthalene | trans-Decahydronaphthalene | 91-17-8 | 493-01-6 | CIS-DECALIN | 493-02-7 | TRANS-DECALIN | Perhydronaphthalene | Naphthalane | Dekalin | Naphthalene, decahydro- | Naphthan | Naphthane | Dekalina | De-kalin | Bicyclo[4.4.0]decane |
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
INCHI
InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2
InChIKey
NNBZCPXTIHJBJL-UHFFFAOYSA-N
Smiles
C1CCC2CCCCC2C1
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.474-1.476
Flash Point(°F)
134.6 °F
Flash Point(°C)
58℃
Boil Point(°C)
187°C
Melt Point(°C)
-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
Citations of This Product
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72 Citations
J2415441