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1-Undecanol - Standard for GC, ≥99.5% (GC), high purity , CAS No.112-42-5
Basic Description
Synonyms
AKOS009031434 | Tox21_300548 | UMQ | Z104476546 | Neodol 1 | SCHEMBL20655 | n-C11H23OH | Q161686 | UNDECYL ALCOHOL [FHFI] | UNII-06MJ0P28T3 | FEMA No. 3097 | 1-UNDECANOL [HSDB] | 4-01-00-01835 (Beilstein Handbook Reference) | Decane, hydroxymethyl deriv.
Specifications & Purity
Standard for GC, ≥99.5%(GC)
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
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
Fatty alcohols
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
undecan-1-ol
INCHI
InChI=1S/C11H24O/c1-2-3-4-5-6-7-8-9-10-11-12/h12H,2-11H2,1H3
InChIKey
KJIOQYGWTQBHNH-UHFFFAOYSA-N
Smiles
CCCCCCCCCCCO
Isomeric SMILES
CCCCCCCCCCCO
WGK Germany
2
RTECS
YQ3155000
PubChem CID
8184
UN Number
3082
Packing Group
III
Molecular Weight
172.31
Beilstein
1698334
Reaxy-Rn
1698334
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Freezing Point(°C)
15 °C
Refractive Index
1.437～1.443
Flash Point(°F)
235.4 °F
Flash Point(°C)
113 °C
Boil Point(°C)
146°C-241°C
Melt Point(°C)
11°C
Molecular Weight
172.310 g/mol
XLogP3
4.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
9
Exact Mass
172.183 Da
Monoisotopic Mass
172.183 Da
Topological Polar Surface Area
20.200 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
71.400
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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54 Citations
L2221037