Eicosane - CAS 112-95-8

Technical Data

Related CAS:	860208-83-9 (Deleted CAS)
IUPAC Name:	icosane
Description:	Eicosane is a long-chain saturated aliphatic hydrocarbon that is an inefficient fuel in the petrochemical industry. It is a natural product found in Erucaria microcarpa, Microcystis aeruginosa and Sargassum fusiforme.
Molecular Weight:	282.55
Molecular Formula:	C20H42
Canonical SMILES:	CCCCCCCCCCCCCCCCCCCC
InChI:	InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChI Key:	CBFCDTFDPHXCNY-UHFFFAOYSA-N
Boiling Point:	343°C
Melting Point:	36.8°C
Flash Point:	186.5°C
Purity:	≥95%
Density:	0.7889 g/cm3
Solubility:	Soluble in Chloroform (Sparingly), DMSO, Hexane (Sparingly), Water
Appearance:	Colorless Crystals or White Crystalline Solid
Storage:	Store at RT
Decomposition:	Hazardous decomposition products formed under fire conditions. - carbon oxides
MDL:	MFCD00009344
LogP:	8.04800
Refractive Index:	1.4425
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents.
Vapor Pressure:	4.62X10-6 mm Hg at 25 °C

GHS Hazard Statement:	H304 (100%): 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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PMID	Publication Date	Title	Journal
22901681	20121115	Cellulose as a novel amphiphilic coating for oil-in-water and water-in-oil dispersions	Journal of colloid and interface science
22899507	20120801	Alkylated phenol series in lacustrine black shales from the Nördlinger Ries, southern Germany	Journal of mass spectrometry : JMS
22676584	20120705	Burial effects of organic coatings on the heterogeneous reactivity of particle-borne benzo[a]pyrene (BaP) toward ozone	The journal of physical chemistry. A
22533996	20120701	Solute distribution and stability in emulsion-based delivery systems: an EPR study	Journal of colloid and interface science
22573305	20120614	Fluorescence sensing of spermine with a frustrated amphiphile	Chemical communications (Cambridge, England)

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	282.328651340
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	282.328651340
Rotatable Bond Count:	17
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	10.4