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2-Octanol - reagent grade,97%, high purity , CAS No.123-96-6
Basic Description
Synonyms
1-Methyl-1-heptanol | 2-Octanol, 97% | 2-Octanol, Vetec(TM) reagent grade, 97% | r-(-)-2-octanol | 2-Octanol, >=97% | J-520411 | Tox21_303347 | BBL100094 | BS-14738 | O0037 | SY038272 | 2-Hydroxyoctane | FT-0605256 | 2-Octanol, (2R)- | 2-Octanol, natural
Specifications & Purity
CP, ≥97%
Shipped In
Normal
Grade
CP
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty alcohols
Intermediate Tree Nodes
Not available
Direct Parent
Fatty alcohols
Alternative Parents
Secondary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Fatty alcohol - Secondary alcohol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
External Descriptors
secondary alcohol - octanol
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.
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
octan-2-ol
INCHI
InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
InChIKey
SJWFXCIHNDVPSH-UHFFFAOYSA-N
Smiles
CCCCCCC(C)O
Isomeric SMILES
CCCCCCC(C)O
WGK Germany
2
RTECS
RH0795000
Molecular Weight
130.23
Beilstein
1719325
Reaxy-Rn
1719322
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1719322&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive.
Refractive Index
1.420～1.427
Flash Point(°F)
159.8 °F
Flash Point(°C)
71℃
Boil Point(°C)
179°C
Melt Point(°C)
-39°C(lit.)
Molecular Weight
130.229 g/mol
XLogP3
2.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
5
Exact Mass
130.136 Da
Monoisotopic Mass
130.136 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
52.500
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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102 Citations
A2521040