Octadecane

https://huagongshe.com/en/chemical/11635

Identifiers & Physical Properties

CAS No.	593-45-3
Molecular formula	C18H38
Average molar mass	254.5 g/mol
Monoisotopic mass	254.29735121 g/mol
SMILES	CCCCCCCCCCCCCCCCCC
InChIKey	RZJRJXONCZWCBN-UHFFFAOYSA-N
PubChem CID	11635
ChEBI	CHEBI:32926
EC No.	209-790-3
DTXSID	DTXSID9047172

Chemical & Physical Properties

XLogP	9.3
Topological polar surface area	0
Hydrogen bond donors	0
Hydrogen bond acceptors	0
Rotatable bonds	15
Heavy atoms	18
Formal charge	0
Complexity	112
LogP (partition coefficient)	Kow = 2.3X10+8 (log Kow 8.36)
Odor	Fuel-like
Density	0.7768 at 82 °F (NTP, 1992) - Less dense than waterwill float0.7768 g/cu cm at 28 °C0.7768 @ 28°C0.7786 g/cm3(Temp: 28 °C)
Color/Form	Needles from alcohol, ether-methanolColorless liquid
Solubility	In water, 6.00X10-3 mg/L at 25 °CInsoluble in waterSlightly soluble in ethanolsoluble in ethyl ether, acetone, chloroformligroinSoluble in alcohol, acetone, ether, petroleum, coal tar hydrocarbons6e-06 mg/mL at 25 °C
Flash point	212 °F (NTP, 1992)Flash point equals 212 °F166 °C (331 °F) - closed cup
Boiling point	601 °F at 760 mmHg (NTP, 1992)Boiling point equals 601 °F316 °C316.00 to 317.00 °C. @ 760.00 mm Hg316.3 °C @760 [mm Hg]
Decomposition	Hazardous decomposition products formed under fire conditions. Carbon oxides.
Melting point	82.9 °F (NTP, 1992)[CAMEO] 82 °F28.17 °C28 °C28.2 °C
Vapor density	8.73 (NTP, 1992) - Heavier than airwill sink (Relative to Air)
Vapor pressure	3.41X10-4 mm Hg at 25 °C
Refractive index	Index of refraction = 1.4390 at 20 °C
GHS pictogram	GHS08
Signal word	Danger
GHS hazard statements	H304
GHS precautionary statements	P301+P310-P331-P405-P501

Safety & Regulations

GHS classification	This chemical does not meet GHS hazard criteria for 9.9% (163 of 1644) of reports.DangerH304 (89.7%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]P301+P316, P331, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1644 reports by companies from 7 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 163 of 1644 reports by companies.There are 6 notifications provided by 1481 of 1644 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatory information	Chemical: OctadecaneOctadecane is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecane are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 28-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5654Octadecane: Does not have an individual approval but may be used under an appropriate group standard
Other safety information	IMAP assessments - Octadecane: Human health tier I assessment
DOT label	Flammable Solid
Fire hazards	Combustible. (NTP, 1992)
Health hazards	Excerpt from ERG Guide 133 [Flammable Solids]:Fire may produce irritating and/or toxic gases. Contact may cause burns to skin and eyes. Contact with molten substance may cause severe burns to skin and eyes. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024)
Hazards summary	A skin irritant[MSDSonline]
Reactive group