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
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 | n |
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) |
Exclamation Mark Irritant GHS07 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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