Undecane - CAS 1120-21-4

Catalog:	BB002848
Product Name:	Undecane
CAS:	1120-21-4
Synonyms:	Halpaclean; Hendecane; N 11; NSC 66159; Nikko Elace; n-Undecane

Technical Data

IUPAC Name:	undecane
Description:	Undecane has anti-allergic and anti-inflammatory effects on sensitized rat basophilic leukemia (RBL-2H3) mast cells and HaCaT keratinocytes. It inhibits degranulation and the secretion of histamine and TNF-α in sensitized mast cells.
Molecular Weight:	156.31
Molecular Formula:	C11H24
Canonical SMILES:	CCCCCCCCCCC
InChI:	InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
InChI Key:	RSJKGSCJYJTIGS-UHFFFAOYSA-N
Boiling Point:	196.3±3.0°C at 760 mmHg
Melting Point:	-26°C
Flash Point:	60°C
Purity:	≥95%
Density:	0.74 g/mL at 25°C
Solubility:	Soluble in Chloroform (Sparingly), Ethyl Acetate (Slightly)
Appearance:	Colorless Liquid
Storage:	Store at 2-8°C
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00008959
LogP:	4.53710
Refractive Index:	1.416-1.418
Stability:	Stable under recommended storage conditions
Vapor Pressure:	0.41 [mmHg]

GHS Hazard Statement:	H304 (99.76%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
Precautionary Statement:	P301+P310, P331, P405, and P501
Signal Word:	Danger

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US-2015375176-A1	Membrane filter	20140627
WO-2015196258-A1	Enzyme interacting agents	20140626
EP-2960319-A2	Hydrocarbyl soluble quaternary ammonium carboxylates and fuel compositions containing them	20140625

PMID	Publication Date	Title	Journal
26820058	20160401	Benzyl butyl phthalate promotes adipogenesis in 3T3-L1 preadipocytes: A High Content Cellomics and metabolomic analysis	Toxicology in vitro : an international journal published in association with BIBRA
22954891	20121130	Physiological tolerance and stoichiometric potential of cyanobacteria for hydrocarbon fuel production	Journal of biotechnology
23023783	20121121	Rhodium complexes stabilized by phosphine-functionalized phosphonium ionic liquids used as higher alkene hydroformylation catalysts: influence of the phosphonium headgroup on catalytic activity	Dalton transactions (Cambridge, England : 2003)
23081930	20121001	Chemical composition of Hypericum rumeliacum Boiss. essential oil. A new chemotype of this pharmacologically valuable species?	Chemistry & biodiversity
22658084	20120801	Novel polycyclic 'cage'-1,2-diamines as potential anti-tuberculosis agents	European journal of medicinal chemistry

Complexity:	49.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.187800766
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.187800766
Rotatable Bond Count:	8
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.6