Octadecane - CAS 593-45-3

Technical Data

IUPAC Name:	octadecane
Description:	Octadecane (CAS# 593-45-3) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	254.49
Molecular Formula:	C18H38
Canonical SMILES:	CCCCCCCCCCCCCCCCCC
InChI:	InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChI Key:	RZJRJXONCZWCBN-UHFFFAOYSA-N
Boiling Point:	317 ℃
Melting Point:	28-31°C
Flash Point:	166°C
Purity:	99 %
Density:	0.777 g/cm³
Solubility:	water, 9.358e-005 mg/L @ 25 °C (est)
Appearance:	Colorless liquid.
Decomposition:	Hazardous decomposition products formed under fire conditions. Carbon oxides
MDL:	MFCD00009007
LogP:	7.26780
Refractive Index:	1.439
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents.
Vapor Pressure:	3.41X10-4 mm Hg at 25 °C

GHS Hazard Statement:	H304 (99.51%): 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-113480768-A	Preparation method of ordered low-surface-energy polymer film with multi-scale structure	20210727
CN-113483589-A	Heat storage heat exchanger based on fractal tree-shaped fins	20210712
CN-113506597-A	Method for analyzing adsorption performance of organic friction reducer based on molecular dynamics	20210709
CN-113244379-A	A hematopoietic preparation for oral administration or injection	20210701
CN-113289004-A	A hematopoietic preparation for oral administration or injection	20210701

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
22652220	20121101	Anticancer effect of atorvastatin nanostructured polymeric micelles based on stearyl-grafted chitosan	International journal of biological macromolecules
22796432	20121101	Fluorescent turn-on detection and assay of water based on 4-(2-dimethylaminoethyloxy)-N-octadecyl-1,8-naphthalimide with aggregation-induced emission enhancement	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22840226	20121101	The effect of octadecyl chain immobilization on the hemocompatibility of poly (2-hydroxyethyl methacrylate)	Biomaterials
22840040	20121001	Synthesis of a new amphiphilic glycodendrimer with antiviral functionality	Carbohydrate polymers

Complexity:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	254.297351212
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	254.297351212
Rotatable Bond Count:	15
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	9.3