Tetradecane - CAS 629-59-4

Technical Data

IUPAC Name:	tetradecane
Description:	Tetradecane (CAS# 629-59-4) is a biomarker in dog hair for visceral leishmaniasis.
Molecular Weight:	198.39
Molecular Formula:	C14H30
Canonical SMILES:	CCCCCCCCCCCCCC
InChI:	InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
InChI Key:	BGHCVCJVXZWKCC-UHFFFAOYSA-N
Boiling Point:	252-254 °C
Melting Point:	5.8°C
Flash Point:	99°C
Purity:	95 %
Density:	0.767 g/cm³
Solubility:	Insoluble
Appearance:	Colorless liquid. must be preheated before ignition can occur.
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00008986
LogP:	5.70740
Refractive Index:	1.428-1.43
Stability:	Stable under normal temperatures and pressures.
Vapor Pressure:	1 mmHg at 169.5 °F

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
31739238	20200120	The effects of abamectin on oxidative stress and gene expression in rat liver and brain tissues: Modulation by sesame oil and ascorbic acid	The Science of the total environment
24529868	20140315	Sinugyrosanolide A, an unprecedented C-4 norcembranoid, from the Formosan soft coral Sinularia gyrosa	Bioorganic & medicinal chemistry letters
22909967	20121115	Mixed O/W emulsions stabilized by solid particles: a model system for controlled mass transfer triggered by surfactant addition	Journal of colloid and interface science
23125703	20121001	(E)-1-(3-Hy-droxy-phen-yl)-3-[4-(tetra-dec-yl-oxy)phen-yl]prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online
22875241	20120925	Encapsulation and release of aqueous components from sonochemically produced protein microspheres	Chemical communications (Cambridge, England)

Complexity:	74
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.234750957
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.234750957
Rotatable Bond Count:	11
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	7.2