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n-Hexane - anhydrous,98%, high purity , CAS No.110-54-3
Basic Description
Synonyms
Hexane, Laboratory Reagent, >=95% | FT-0657006 | n-Hexane, ACS grade | DTXCID001917 | Heksan | N-HEXANE [MI] | n-Hexane 100 microg/mL in Methanol | Epitope ID:116866 | Hexane, JIS special grade, >=96.0% | AI3-24253 | HEXANE | Hexane, for HPLC, >=97.0% (GC
Specifications & Purity
anhydrous, ≥98%
Storage Temp
Room temperature
Shipped In
Normal
Grade
anhydrous
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Hydrocarbons
Class
Saturated hydrocarbons
Subclass
Alkanes
Intermediate Tree Nodes
Not available
Direct Parent
Alkanes
Alternative Parents
Not available
Molecular Framework
Aliphatic acyclic compounds
Substituents
Acyclic alkane - Alkane - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
External Descriptors
a small molecule
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
hexane
INCHI
InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChIKey
VLKZOEOYAKHREP-UHFFFAOYSA-N
Smiles
CCCCCC
Isomeric SMILES
CCCCCC
WGK Germany
2
RTECS
MN9275000
UN Number
1208
Packing Group
II
Molecular Weight
86.18
Beilstein
1730733
Reaxy-Rn
1730733
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730733&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in ethanol, ether, acetone and chloroform, insoluble in water.
Refractive Index
1.375
Flash Point(°F)
-8°F
Flash Point(°C)
-22℃
Boil Point(°C)
69°C
Melt Point(°C)
-95°C(lit.)
Molecular Weight
86.180 g/mol
XLogP3
3.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
3
Exact Mass
86.1096 Da
Monoisotopic Mass
86.1096 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
12.000
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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1890 Citations
B2519230