1-Octadecanethiol - CAS 2885-00-9

Catalog:	BB019991
Product Name:	1-Octadecanethiol
CAS:	2885-00-9
Synonyms:	octadecane-1-thiol
Application:	1-Octadecanethiol is used in chemical organic synthesis; in synthetic rubber processing, and in tarnish-preventing agents.

Technical Data

IUPAC Name:	octadecane-1-thiol
Description:	1-Octadecanethiol (CAS# 2885-00-9) is a useful research chemical.
Molecular Weight:	286.56
Molecular Formula:	C18H38S
Canonical SMILES:	CCCCCCCCCCCCCCCCCCS
InChI:	InChI=1S/C18H38S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
InChI Key:	QJAOYSPHSNGHNC-UHFFFAOYSA-N
Boiling Point:	204-210 °C (11 mmHg)
Melting Point:	30-33 °C
Flash Point:	12 °C
Purity:	N/A
Density:	0.847 g/cm³
Solubility:	Insoluble
Appearance:	White powder with an extremely unpleasant smell
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Decomposition:	366 °c
MDL:	MFCD00004886
LogP:	7.17770
Refractive Index:	1.3610
Stability:	Stability Combustible. Stable. Incompatible with strong oxidizing agents, bases, reducing agents, alkali metals.
Vapor Pressure:	4.59E-05mmHg at 25°C

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22966486	20121107	Introducing cymantrene labels into scattering scanning near-field infrared microscopy	The Analyst
22542442	20121026	Preparation of porous polymer monoliths featuring enhanced surface coverage with gold nanoparticles	Journal of chromatography. A
22978680	20121016	Origin of the contact angle hysteresis of water on chemisorbed and physisorbed self-assembled monolayers	Langmuir : the ACS journal of surfaces and colloids
22870508	20120921	New insight into the electrochemical desorption of alkanethiol SAMs on gold	Physical chemistry chemical physics : PCCP
22579335	20120901	Surface-enhanced Raman spectroscopy for detection of toxic amyloid β oligomers adsorbed on self-assembled monolayers	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	286.26942239
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	286.26942239
Rotatable Bond Count:	16
Topological Polar Surface Area:	1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	9.4