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5-Hexyn-3-ol - >90.0%(GC), high purity , CAS No.19780-84-8
Basic Description
Synonyms
5-Hexyn-3-ol, 97% | 1-Hexyn-4-ol | EINECS 243-304-0 | J-012775 | MFCD00041593 | NSC 244897 | AJYGRAORQSCNED-UHFFFAOYSA- | FT-0620452 | SY014082 | hex-5-yn-3-ol | InChI=1/C6H10O/c1-3-5-6(7)4-2/h1,6-7H,4-5H2,2H3 | 5-Hexyn-3-ol | AKOS009158125 | Ethyl propar
Specifications & Purity
≥90%(GC)
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Alcohols and polyols
Intermediate Tree Nodes
Not available
Direct Parent
Secondary alcohols
Alternative Parents
Acetylides Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Secondary alcohol - Acetylide - Hydrocarbon derivative - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
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
IUPAC Name
hex-5-yn-3-ol
INCHI
InChI=1S/C6H10O/c1-3-5-6(7)4-2/h1,6-7H,4-5H2,2H3
InChIKey
AJYGRAORQSCNED-UHFFFAOYSA-N
Smiles
CCC(CC#C)O
Isomeric SMILES
CCC(CC#C)O
WGK Germany
3
Molecular Weight
98.15
Reaxy-Rn
1698904
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1698904&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Heat sensitive;Air sensitive
Refractive Index
1.44
Flash Point(°F)
109.4 °F
Flash Point(°C)
43°C(lit.)
Boil Point(°C)
139°C(lit.)
Molecular Weight
98.140 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
98.0732 Da
Monoisotopic Mass
98.0732 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
77.400
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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