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Hexadecanethiol

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Name Hexadecanethiol EINECS 220-846-6
CAS No. 2917-26-2 Density 0.842 g/cm3
Solubility insoluble in water Melting Point 18-20 °C(lit.)
Formula C16H34S Boiling Point 335.2 °C at 760 mmHg
Molecular Weight 258.50 Flash Point 101.7 °C
Transport Information Appearance Colorless liquid or white solid
Safety 26 Risk Codes 36
Molecular Structure Molecular Structure of 2917-26-2 (Hexadecanethiol) Hazard Symbols IrritantXi
Synonyms

n-Hexadecyl mercaptan

 

Chemistry

Molecular Structure of Hexadecanethiol (CAS NO.2917-26-2):

IUPAC Name: hexadecane-1-thiol 
Empirical Formula: C16H34S
Molecular Weight: 258.5062
EINECS: 220-846-6
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 15
Polar Surface Area: 25.3 Å2
Index of Refraction: 1.46
Molar Refractivity: 84.07 cm3
Molar Volume: 306.6 cm3
Surface Tension: 30.4 dyne/cm
Density: 0.842 g/cm3
Flash Point: 101.7 °C
Enthalpy of Vaporization: 55.53 kJ/mol
Boiling Point: 335.2 °C at 760 mmHg
Vapour Pressure: 0.000237 mmHg at 25°C
Water Solubility: Insoluble
BRN: 1748495
Melting point: 18-20 °C(lit.)
InChI
InChI=1/C16H34S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
Smiles
C(CCCCCCCC)CCCCCCCS

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36
R36:Irritating to eyes.
Safety Statements: 26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
F: 13
HS Code: 29309070

Specification

 Hexadecanethiol , with CAS number of 2917-26-2, can be called 1-Mercaptohexadecane ; Cetyl mercaptan ; Hexadecyl mercaptan ; n-Hexadecanethiol ; n-Hexadecylmercaptan ; n-Hexadecylthiol . It is a light yellow clear liquid, Hexadecanethiol (CAS NO.2917-26-2) is non-flammable but combustible. Incompatible with oxidizing agents, strong acids and strong bases, alkali metals and nitric acid. It can react with water, steam or acids to produce toxic and flammable vapors. Reacts violently with powerful oxidizing agents such as calcium hypochlorite (Ca(OCl)2) to generate SOx. Reacts with hydrides to form flammable H2 gas; reacts with halogenated hydrocarbons to yield hydrogen halides. Reacts exothermically with aldehydes. Besides it can emis toxic compounds of sulfur when when heated to decomposition.

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