tert-dodecylthiol Chemical Properties

Melting point:

-7.5°C

Boiling point:

227-248 °C (lit.)

Density 

0.86 g/mL at 20 °C (lit.)

vapor pressure 

1.33 hPa (25.5 °C)

refractive index 

1.4486 (estimate)

Flash point:

195 °F

storage temp. 

Store below +30°C.

solubility 

<0.1g/l

form 

clear liquid

color 

Colorless to Almost colorless

Water Solubility 

<0.1 g/100 mL at 23 ºC

BRN 

1738382

InChI

1S/C12H26S/c1-9(2)10(3,4)11(5,6)12(7,8)13/h9,13H,1-8H3

InChIKey

CXUHLUIXDGOURI-UHFFFAOYSA-N

SMILES

SC(C(C(C(C)C)(C)C)(C)C)(C)C

LogP

7.43 at 20℃

CAS DataBase Reference

25103-58-6(CAS DataBase Reference)

EPA Substance Registry System

tert-Dodecanethiol (25103-58-6)

Safety Information

Hazard Codes 

Xi,N

Risk Statements 

36/38-50/53

Safety Statements 

26-36-60

RIDADR 

UN 3082 9/PG 3

WGK Germany 

2

RTECS 

JR3150000

Autoignition Temperature

350 °C

TSCA 

TSCA listed

HazardClass 

9

PackingGroup 

III

HS Code 

29309070

Storage Class

10 - Combustible liquids

Hazard Classifications

Aquatic Chronic 1
Skin Irrit. 2
Skin Sens. 1B

Toxicity

LD50 orally in Rabbit: 6800 mg/kg LD50 dermal Rabbit 12600 mg/kg

MSDS

• Language:English Provider:2,3,3,4,4,5-Hexamethyl-2-hexanethiol

tert-dodecylthiol Usage And Synthesis

Uses

Tert-dodecylthiol is used in the polymer industry and as a processing regulator, processing aid (i.e. pH value regulator, flocculant and precipitant), lubricant, for the manufacture of plastic materials, resins, paints, coatings, rubber products, and mining, among other things.

General Description

Clear white to pale yellow liquid with a repulsive odor.

Air & Water Reactions

Sensitive to moisture. Sensitive to prolonged exposure to air. Insoluble in water.

Reactivity Profile

tert-dodecylthiol is incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Generate heat and in many cases hydrogen gas and possibly hydrogen sulfide with these materials. May liberate hydrogen sulfide upon decomposition or reaction with an acid. Incompatible with oxygen. Incompatible with strong oxidizing agents . May be sensitive to heat.

Fire Hazard

tert-dodecylthiol is combustible.

Safety Profile

Poison by ingestion. Moderately toxic by intraperitoneal route. A skin and eye irritant. Combustible when exposed to heat or flame; can react vigorously with oxidizing materials. To fight fire, use foam, Con, dry chemical. When heated to decomposition it emitstoxic fumes of SOx,. See also MERCAPTANS and SULFATE

Synthesis

Twelve grams of water and 40 grams of dodecene were introduced into the plant through a funnel. After sealing the plant, the reaction mixing pump was put into operation (speed: 2800 min-1) and then the entire pumping circulation system (including the pump pressure head), which was manufactured in a jacketed design, was restored to its initial temperature. The reaction was initiated by gradually injecting the first 10 bar of carbon dioxide, followed by a gradual injection of 20 bar of hydrogen sulfide gas to a total pressure of about 30 ??C. 31 bar. The H2S feed to the reactor system was kept open during the experiment so that the amount of hydrogen sulfide that had been reacted could be replenished to the reaction system. Over the next 2 hours, the mixture was uniformly heated to 60??C. After an additional 3 hours, all dissolved gaseous components were removed from the biphasic liquid sample by depressurizing at the discharge valve and further heating to 100??C. The composition of the organic liquid phase (upper phase) was analyzed by gas chromatography and it was possible to differentiate between the reactants (olefins), the main product (tertiary dodecyl mercaptan) and the minor components (thioethers).

tert-dodecylthiol(25103-58-6)Related Product Information

• 1-Dodecanol
• Benzyl mercaptan
• 4-DODECYLPHENOL MIXTURE OF ISOMERS
• PYRITHIOXIN DIHYDROCHLORIDE
• Sodium thiomethoxide
• METHYL MERCAPTAN
• PYRITHIOXIN
• Ethanethiol
• N,N-Dimethyldodecylamine
• Ammonium lauryl sulfate
• Dodecylbenzenesulphonic acid
• DODECYLBENZENE
• Allyl mercaptan
• 1,2-EPOXYTETRADECANE
• CALCIUM DODECYLBENZENE SULFONATE
• Butylmercaptooxo-stannane
• DI-TERT-BUTYL ETHER
• N-DODECANETHIOL