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1-Dodecanol - Standard for GC,>99%(GC), high purity , CAS No.112-53-8
Basic Description
Synonyms
1-DODECANOL | Dodecan-1-ol | Dodecyl alcohol | Dodecanol | Lauryl alcohol | 112-53-8 | Undecyl carbinol | Dodecylalcohol | n-Dodecyl alcohol | Lauric alcohol | Laurinic alcohol | Pisol | 1-Dodecyl alcohol | n-Dodecan-1-ol | Duodecyl alcohol | 1-Hydroxydodecane | Siponol L5 | Karukoru 20 | L
Specifications & Purity
Standard for GC, ≥99%(GC)
Shipped In
Normal
Grade
Standard for GC
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
Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aliphatic acyclic compounds
Substituents
Fatty alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - 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
a long-chain alcohol - a primary alcohol - a fatty alcohol
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(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
dodecan-1-ol
INCHI
InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
InChIKey
LQZZUXJYWNFBMV-UHFFFAOYSA-N
Smiles
CCCCCCCCCCCCO
Isomeric SMILES
CCCCCCCCCCCCO
WGK Germany
1
RTECS
JR5775000
UN Number
3077(international)
Packing Group
III
Molecular Weight
186.33
Beilstein
1738860
Reaxy-Rn
1738860
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738860&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Insoluble in water and glycerol, soluble in propylene glycol, ethanol, benzene, chloroform, and ether.
Freezing Point(°C)
23 °C
Refractive Index
1.428
Flash Point(°F)
＞100℃
Flash Point(°C)
＞100℃
Boil Point(°C)
255-259°C
Melt Point(°C)
24°C
Molecular Weight
186.330 g/mol
XLogP3
5.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
10
Exact Mass
186.198 Da
Monoisotopic Mass
186.198 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
81.200
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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131 Citations
F2412073