1-Mercaptooctane Chemical Properties

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.

LogP

4.21 at 20℃

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

Hazard Codes 

F,N,Xn,Xi

Risk Statements 

11-67-65-50/53-43-36/37-20-36/37/38

Safety Statements 

7-16-57-45-36/37/39-29-26

RIDADR 

UN 1170 3/PG 2

OEL

Ceiling: 0.5 ppm (3.0 mg/m3) [15-minute]

WGK Germany 

3

Autoignition Temperature

240 °C

TSCA 

Yes

HazardClass 

9

PackingGroup 

III

HS Code 

29309070

Hazardous Substances Data

111-88-6(Hazardous Substances Data)

Toxicity

LD50 orally in Rabbit: 2000 - 2450 mg/kg

MSDS

• Language:English Provider:1-Mercaptooctane
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
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1-Mercaptooctane Usage And Synthesis

Chemical Properties

colourless liquid

Uses

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).

Uses

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.]

1-Mercaptooctane(111-88-6)Related Product Information

• HEXANOIC ANHYDRIDE
• OCTANOPHENONE
• METHYL PROPYL SULFIDE
• POLYETHYLENEGLYCOL 600 MONOOCTYL ETHER
• 1-Decanol
• Poly(oxy-1,2-ethanediyl), α-sulfo-ω-hydroxy-, C12-14-alkyl ethers, sodium salts
• Polyoxyethylene lauryl ether
• Laurocapram
• Didodecyl sulfide
• 1-DODECANESULFONIC ACID SODIUM SALT
• 1-Mercaptooctane
• 1-Decanethiol
• D-BIOTIN P-NITROPHENYL ESTER
• α-Lipoic Acid
• 1-HEXADECANESULFONIC ACID SODIUM SALT
• 4-HEXADECYLSULFONYLANILINE
• 2-Octanethiol
• 2-Ethyl-1-hexanethiol