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2-Butanol - analytical standard,≥99.9%(GC), high purity , CAS No.78-92-2
Basic Description
Synonyms
2-Butanol | Butan-2-ol | sec-Butanol | SEC-BUTYL ALCOHOL | 78-92-2 | 2-Hydroxybutane | 2-Butyl alcohol | Butylene hydrate | 1-Methyl-1-propanol | 1-Methylpropyl alcohol | s-Butyl alcohol | Methyl ethyl carbinol | s-Butanol | Ethyl methyl carbinol | Butanol secondaire | Butanol-2 | 1-Met
Specifications & Purity
analytical standard, ≥99.9%(GC)
Shipped In
Normal
Grade
analytical standard
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
Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Secondary alcohol - 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
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
butan-2-ol
INCHI
InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
InChIKey
BTANRVKWQNVYAZ-UHFFFAOYSA-N
Smiles
CCC(C)O
Isomeric SMILES
CCC(C)O
WGK Germany
1
RTECS
EO1750000
UN Number
1120
Packing Group
II
Molecular Weight
74.12
Beilstein
773649
Reaxy-Rn
773649
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773649&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive.
Refractive Index
1.397
Flash Point(°F)
26℃
Flash Point(°C)
26℃
Boil Point(°C)
98°C
Melt Point(°C)
-115°C
Molecular Weight
74.120 g/mol
XLogP3
0.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
74.0732 Da
Monoisotopic Mass
74.0732 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
5
Formal Charge
0
Complexity
19.600
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
Citations of This Product
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62 Citations
H2302140