Heptadecane - CAS 629-78-7

Technical Data

IUPAC Name:	heptadecane
Description:	Heptadecane (CAS# 629-78-7) is an organic compound found through the decarboxylation of oleic acid.
Molecular Weight:	240.47
Molecular Formula:	C17H36
Canonical SMILES:	CCCCCCCCCCCCCCCCC
InChI:	InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
InChI Key:	NDJKXXJCMXVBJW-UHFFFAOYSA-N
Boiling Point:	302 °C
Melting Point:	22-24 °C
Flash Point:	148°C
Purity:	95 %
Density:	0.77 g/cm³
Solubility:	water, 0.0002938 mg/L @ 25 °C (est)
Appearance:	Colourless liquid or white solid
Decomposition:	When heated to decomposition it emits acrid smoke and irritating vapors
MDL:	MFCD00009002
LogP:	6.87770
Refractive Index:	n20/D 1.436(lit.)
Stability:	Stable. Incompatible with strong oxidizing agents. Combustible.
Vapor Pressure:	0.000228 [mmHg]

GHS Hazard Statement:	H304 (98.6%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
Precautionary Statement:	P301+P310, P331, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-111944113-A	Photoreaction type polyurethane associative thickener with benzophenone side group at end, preparation method and application thereof	20200708
CN-111944113-B	Photoreaction type polyurethane associative thickener with benzophenone side group at end, preparation method and application thereof	20200708
TW-202000853-A	Liquid composition, film containing sub-dots, optical film, light-emitting display element panel and light-emitting display device	20180626
CN-110494527-A	The manufacturing method of sticker, adhesive sheet and C-terminal carbamate prepolymer	20180412
CN-108424728-A	Sticker and adhesive sheet	20170214

PMID	Publication Date	Title	Journal
22789816	20120901	Characterization of the organic contamination pattern of a hyper-saline ecosystem by rapid screening using gas chromatography coupled to high-resolution time-of-flight mass spectrometry	The Science of the total environment
22922284	20120824	Acetylcholinesterase-inhibiting activity of salicylanilide N-alkylcarbamates and their molecular docking	Molecules (Basel, Switzerland)
22534114	20120515	Transitions from functionalization to fragmentation reactions of laboratory secondary organic aerosol (SOA) generated from the OH oxidation of alkane precursors	Environmental science & technology
22301356	20120321	Spinodal decomposition of polymer solutions: molecular dynamics simulations of the two-dimensional case	Journal of physics. Condensed matter : an Institute of Physics journal
22433663	20120321	Effects of fatty acid activation on photosynthetic production of fatty acid-based biofuels in Synechocystis sp. PCC6803	Biotechnology for biofuels

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.281701148
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	240.281701148
Rotatable Bond Count:	14
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	8.8