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HomeProduct name list1-Mercaptooctane

1-Mercaptooctane

Synonym(s):n-Octyl mercaptan;1-Octanethiol;Mercaptan C8;n-Octyl mercaptan;Octyl mercaptan

  • CAS NO.:111-88-6
  • Empirical Formula: C8H18S
  • Molecular Weight: 146.29
  • MDL number: MFCD00004912
  • EINECS: 203-918-1
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-08-24 19:19:26
1-Mercaptooctane Structural

What is 1-Mercaptooctane?

Chemical properties

colourless liquid

The Uses of 1-Mercaptooctane

1-Octanethiol can be used to improve charge injection by creating a monolayer of this material on gold source-drain electrode surfaces for bottom-contact thin-film transistors (TFTs).

The Uses of 1-Mercaptooctane

OT can be used as a sulfur precursor for the preparation of shell for CdSe/CdS quantum dots. It forms ligands that help in enhancing the power efficiency of hetero-junction nanorod sensitized solar cells as it enhances the electron extraction from the nanorod and TiO2 interface. OT based stabilized coating on copper nanoparticles (CuNPs) may be used in the dispersion of these colloidal particles in different sample solutions. It can be used to improve charge injection by creating a monolayer on gold source-drain electrode surfaces for bottom-contact thin-film transistors (TFTs).

Definition

ChEBI: Octane-1-thiol is an alkanethiol that is octane substituted by a thiol group at position 1.

Synthesis Reference(s)

The Journal of Organic Chemistry, 37, p. 1532, 1972 DOI: 10.1021/jo00975a015
Synthetic Communications, 25, p. 2655, 1995 DOI: 10.1080/00397919508011812
Tetrahedron Letters, 31, p. 1397, 1990 DOI: 10.1016/S0040-4039(00)88815-2

General Description

A clear colorless liquid. Flash point 115°F. Insoluble in water and less dense than water. Used to make other chemicals.

Air & Water Reactions

Flammable. Insoluble in water.

Reactivity Profile

1-Mercaptooctane is incompatible with the following: Oxidizers, reducing agents, strong acids & bases, alkali metals .

Health Hazard

TOXIC; may be fatal if inhaled, ingested or absorbed through skin. Inhalation or contact with some of these materials will irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.

Fire Hazard

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion and poison hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

Purification Methods

Pass the thiol through a column of alumina and work under N2, or Ar. Distil it under N2 and a vacuum. Store it under N2, or Ar in the dark. [Battacharyya et al. J Chem Soc, Faraday Trans 1 82 135 1986, Fletcher J Am Chem Soc 68 2727 1946]. [Beilstein 1 III 1710, 1 IV 1767.]

Properties of 1-Mercaptooctane

Melting point: -49 °C
Boiling point: 197-200 °C (lit.)
Density  0.843 g/mL at 25 °C (lit.)
vapor pressure  0.3 hPa (20 °C)
refractive index  n20/D 1.452(lit.)
Flash point: 55 °F
storage temp.  Store below +30°C.
solubility  0.004g/l
form  Liquid
pka 10.55±0.10(Predicted)
color  Clear colorless
Specific Gravity 0.843 (20/4℃)
Odor at 0.10?%?in?dipropylene glycol. sulfurous
Odor Threshold 0.0016ppm
Water Solubility  Not miscible in water.
BRN  1733101
Exposure limits NIOSH: Ceiling 0.5 ppm(3.0 mg/m3)
Stability: Stable. Incompatible with strong acids, strong oxidizing agents, alkali metals.
CAS DataBase Reference 111-88-6(CAS DataBase Reference)
NIST Chemistry Reference 1-Octanethiol(111-88-6)
EPA Substance Registry System 1-Octanethiol (111-88-6)

Safety information for 1-Mercaptooctane

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
ghs
Environment
GHS09
GHS Hazard Statements H317:Sensitisation, Skin
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.

Computed Descriptors for 1-Mercaptooctane

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