All Photos(1)

52270

Sigma-Aldrich

1-Hexadecanethiol

≥95.0% (GC)

Synonym(s):
Cetyl mercaptan, Mercaptan C16, Hexadecyl mercaptan
Linear Formula:
CH3(CH2)15SH
CAS Number:
Molecular Weight:
258.51
Beilstein:
1748495
Beilstein:
1730763
EC Number:
EC Number:
MDL number:
MDL number:
PubChem Substance ID:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

vapor density

3.5 (vs air)

vapor pressure

40 mmHg ( 20 °C)
83 mmHg ( 37.7 °C)

assay

≥95.0% (GC)
≥99.5% (GC)

grade

puriss. p.a.

refractive index

n20/D 1.462 (lit.)
n20/D 1.464
n20/D 1.387 (lit.)
n20/D 1.388

bp

184-191 °C/7 mmHg (lit.)
98 °C (lit.)

mp

18-20 °C (lit.)
−91 °C (lit.)

form

liquid

transition temp

solidification point 15-18 °C(lit.)

autoignition temp.

433 °F

density

0.84 g/mL at 25 °C (lit.)
0.684 g/mL at 20 °C
0.684 g/mL at 25 °C (lit.)

expl. lim.

7 %

impurities

≤0.05% water

evapn. residue

≤0.002%

cation traces

Al: ≤0.5 mg/kg
Ba: ≤0.1 mg/kg
Bi: ≤0.1 mg/kg
Ca: ≤0.5 mg/kg
Cd: ≤0.05 mg/kg
Co: ≤0.02 mg/kg
Cr: ≤0.02 mg/kg
Cu: ≤0.02 mg/kg
Fe: ≤0.1 mg/kg
K: ≤0.5 mg/kg
Li: ≤0.1 mg/kg
Mg: ≤0.1 mg/kg
Mn: ≤0.02 mg/kg
Mo: ≤0.1 mg/kg
Na: ≤0.5 mg/kg
Ni: ≤0.02 mg/kg
Pb: ≤0.1 mg/kg
Sr: ≤0.1 mg/kg
Zn: ≤0.1 mg/kg

SMILES string

CCCCCCCCCCCCCCCCS
CCCCCCC

InChI

1S/C16H34S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3

InChI key

ORTRWBYBJVGVQC-UHFFFAOYSA-N
IMNFDUFMRHMDMM-UHFFFAOYSA-N

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General description

1-Hexadecanethiol (HDT) readily forms self-assembled monolayer (SAMs) on gold surfaces. Phase separation characteristics of binary SAMs [made up of HDT and 3-mercaptopropionic acid] on the surface of Au(111) have been investigated. Interaction between gold surface and SAM of HDT has been investigated by atomic force microscopy (AFM).

Application

1-Hexadecanethiol has been used in the preparation of cholesterol-PIE12-trimer and alkyl-PIE12-trimer (PIE12-trimer = protease-resistant trimeric D-peptide inhibitor). It may be used for the functionalization of silver nanowires.

Packaging

100, 500 mL in glass bottle

Other Notes

A -D suffix exists for administrative purposes only.
All -D packages are 100% the same product, same quality, same specification as the package sizes previously sold without a -D.

Signal Word

Danger

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Asp. Tox. 1 - Flam. Liq. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Central nervous system

Storage Class Code

10 - Combustible liquids

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

WGK

WGK 2

Flash Point(F)

215.6 °F

Flash Point(F)

24.8 °F

Flash Point(C)

-4 °C

Flash Point(C)

102 °C

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Certificate of Analysis

Certificate of Origin

M N Yousaf et al.
Proceedings of the National Academy of Sciences of the United States of America, 98(11), 5992-5996 (2001-05-17)
This report describes the development of an electroactive mask that permits the patterning of two different cell populations to a single substrate. This mask is based on a self-assembled monolayer of alkanethiolates on gold that could be switched from a...
Mohammad R Shadnam et al.
Langmuir : the ACS journal of surfaces and colloids, 20(7), 2667-2676 (2005-04-20)
The development of a methodology to manipulate surface properties of a self-assembled monolayer (SAM) of alkanethiol on a gold film using direct laser patterning is the objective of this paper. The present study demonstrates proof of the concept for the...
Combining surface chemistry with a FRET-based biosensor to study the dynamics of RhoA GTPase activation in cells on patterned substrates.
Louis Hodgson et al.
Journal of the American Chemical Society, 129(30), 9264-9265 (2007-07-13)
Stable colloidal solutions of high-temperature-annealed L10 FePt nanoparticles.
Anastasia Delattre et al.
Small (Weinheim an der Bergstrasse, Germany), 6(8), 932-936 (2010-03-10)
Synthesis and characterization of Janus gold nanoparticles.
Hyewon Kim et al.
Advanced materials (Deerfield Beach, Fla.), 24(28), 3857-3863 (2012-05-11)

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