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trans-4-Octene - >98.0%(GC), high purity , CAS No.14850-23-8
Basic Description
Specifications & Purity
≥98%(GC)
Storage Temp
Argon charged
Shipped In
Normal
Product Description
Application：
trans-4-Octene may be used in the synthesis of the following：n-nonanal；aliphatic unsaturated polyesters；4-isopropyloctane；diasterioisomeric 4-(difluoroiodomethyl)-5-iodooctane；siliranes；m-dioxanes
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Hydrocarbons
Class
Unsaturated hydrocarbons
Subclass
Unsaturated aliphatic hydrocarbons
Intermediate Tree Nodes
Not available
Direct Parent
Unsaturated aliphatic hydrocarbons
Alternative Parents
Alkenes
Molecular Framework
Aliphatic acyclic compounds
Substituents
Unsaturated aliphatic hydrocarbon - Olefin - Alkene - Acyclic olefin - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds.
External Descriptors
Not available
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.
Names and Identifiers
Pubchem Sid
488195417
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488195417
IUPAC Name
(E)-oct-4-ene
INCHI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+
InChIKey
IRUCBBFNLDIMIK-BQYQJAHWSA-N
Smiles
CCCC=CCCC
Isomeric SMILES
CCC/C=C/CCC
WGK Germany
3
UN Number
3295
Packing Group
II
Molecular Weight
112.22
Beilstein
1719100
Reaxy-Rn
1719103
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719103&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.41
Flash Point(°F)
69.8 °F
Flash Point(°C)
21 °C
Boil Point(°C)
122 °C
Molecular Weight
112.210 g/mol
XLogP3
3.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
4
Exact Mass
112.125 Da
Monoisotopic Mass
112.125 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
45.100
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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K2429418