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1-Mercaptooctane

Product Name
1-Mercaptooctane
CAS No.
111-88-6
Chemical Name
1-Mercaptooctane
Synonyms
1-OCTANETHIOL;NOM;Octanethiol;Octane-1-thiol;N-OCTYL MERCAPTAN;OCTYL MERCAPTAN;NOM(TM);n-Octyl m;Octylthiol;n-Octylthiol
CBNumber
CB6852856
Molecular Formula
C8H18S
Formula Weight
146.29
MOL File
111-88-6.mol
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1-Mercaptooctane Property

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)
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Safety

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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H317May cause an allergic skin reaction

H410Very toxic to aquatic life with long lasting effects

Precautionary statements

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
8.21861
Product name
1-Octanethiol
Purity
for synthesis
Packaging
100ML
Price
$34.7
Updated
2024/03/01
Sigma-Aldrich
Product number
471836
Product name
1-Octanethiol
Purity
≥98.5%
Packaging
25ml
Price
$42.9
Updated
2024/03/01
Sigma-Aldrich
Product number
8.21861
Product name
1-Octanethiol
Purity
for synthesis
Packaging
500ML
Price
$80.8
Updated
2024/03/01
Sigma-Aldrich
Product number
471836
Product name
1-Octanethiol
Purity
≥98.5%
Packaging
2l
Price
$127
Updated
2024/03/01
TCI Chemical
Product number
O0025
Product name
1-Octanethiol
Purity
>98.0%(GC)
Packaging
25mL
Price
$23
Updated
2024/03/01
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1-Mercaptooctane Chemical Properties,Usage,Production

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 Preparation Products And Raw materials

Raw materials

1-Bromooctane Sodium hydrosulfide Thiourea

Preparation Products

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1-Mercaptooctane Suppliers

Americas 1 Belgium 3 Chile 1 China 170 Europe 5 France 2 Germany 6 India 5 Japan 7 Norway 1 Slovakia 1 South Korea 1 Sweden 1 Switzerland 2 The Netherlands 1 United Kingdom 7 United States 28 Global 242
Aladdin Scientific
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View Lastest Price from 1-Mercaptooctane manufacturers

Hebei Weibang Biotechnology Co., Ltd
Product
1-Mercaptooctane 111-88-6
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2024-12-04
Hebei Yanxi Chemical Co., Ltd.
Product
1-Mercaptooctane 111-88-6
Price
US $30.00-10.00/kg
Min. Order
1kg
Purity
0.99
Supply Ability
10 tons
Release date
2023-11-07
Hebei Chuanghai Biotechnology Co,.LTD
Product
1-Mercaptooctane 111-88-6
Price
US $10.00/KG
Min. Order
1KG
Purity
95%
Supply Ability
10 ton
Release date
2024-08-23

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