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112-55-0

Basic Information
CAS No.: 112-55-0
Name: 1-Dodecanethiol
Article Data: 72
Molecular Structure:
Molecular Structure of 112-55-0 (1-Dodecanethiol)
Formula: C12H26S
Molecular Weight: 202.404
Synonyms: Dodecylmercaptan (6CI);1-Dodecyl mercaptan;1-Dodecylthiol;1-Mercaptododecane;Lauryl mercaptan;NSC 814;Thiokalcohl 20;Thiokalcol 20;n-Dodecanethiol;n-Dodecyl mercaptan;n-Dodecylthiol;n-Lauryl mercaptan;Dodecanethiol;
EINECS: 203-984-1
Density: 0.845 g/cm3
Melting Point: -7 °C
Boiling Point: 275.328 °C at 760 mmHg
Flash Point: 87.778 °C
Solubility: immiscible with water
Appearance: clear liquid
Hazard Symbols: HarmfulXn,IrritantXiDangerousN,FlammableF
Risk Codes: 37/38-41-42/43-36/37/38-67-65-62-51/53-48/20-38-11
Safety: 23-26-36/37/39-45-37/39-63-62-61-36/37-33-29-16-9
Transport Information: UN 1208 3/PG 2
PSA: 38.80000
LogP: 4.83710
Synthetic route
2757-37-1

didodecyl disulfide

112-55-0

1-dodecylthiol

Conditions
ConditionsYield
With hydrogen; rhodium hydrido (PEt3)3 complex In toluene for 0.5h; Heating;86%
With sulfuric acid; zinc
With sodium hydrogensulfide; water
With RhCl(PPh3)3; hydrogen In toluene at 100℃; under 760 Torr; for 2h;94 % Spectr.

thiocarbonic acid O-allyl ester S-dodecyl ester

112-55-0

1-dodecylthiol

Conditions
ConditionsYield
With trisodium tris(3-sulfophenyl)phosphine; water; diethylamine; palladium diacetate; heptakis(2,6-di-O-methyl)cyclomaltoheptaose In toluene at 20℃; for 3h; Substitution;95%
112-52-7

1-chlorododecane

112-55-0

1-dodecylthiol

Conditions
ConditionsYield
With sodium hydrogensulfide; tetrabutylammomium bromide In water; chlorobenzene at 65 - 70℃; for 12h;244 g
With sodium disulfide; tetrabutylammomium bromide In water; chlorobenzene at 65 - 70℃; for 16h;244 g
103212-64-2

S-dodecyl dodecanethioate

A

143-07-7

lauric acid

B

112-55-0

1-dodecylthiol

Conditions
ConditionsYield
With C18-alkylated polystyrene-supported sulfonic acid; water for 24h; Heating;A 96%
B n/a
With water; hydrophobic polystyrene-supported sulfonic acid for 72h; Heating;A 95%
B 95%
With C18-alkylated polystyrene-supported sulfonic acid; water for 24h; Heating;
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Chemistry

Name:1-Dodecanethiol
Synonyms:Dodecyl mercaptan; Lauryl mercaptan
Molecular Formula:C12H26S
Molecular Structure : 
Molecular Weight:202.40
EINECS:203-984-1
Density:0.845
Melting point:-7 oC
Boiling point:266-283 oC
Refractive index:1.458-1.46
Flash point:87 oC
Water solubility:IMMISCIBLE

Toxicity Data With Reference

1.   

cyt-rat-ihl 5020 µg/m3/16W

   BZARAZ    Biologicheskii Zhurnal Armenii. Biological Journal of Armenia. 27 (1974),102.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Inhalation hazard. Mutation data reported. Combustible when exposed to heat or flame. To fight fire, use alcohol foam. When heated to decomposition it emits toxic fumes of SOx. See also MERCAPTANS.
LAURYL MERCAPTAN'sSafety Statements:
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.;
S37/39:Wear suitable gloves and eye/face protection.;
LAURYL MERCAPTAN's Risk Statements:R36/37/38:Irritating to eyes, respiratory system and skin.;

Standards and Recommendations

ACGIH TLV: (Proposed: 0.1 ppm (sensitizer))
NIOSH REL: (n-Alkane Mono Thiols) CL 0.5 ppm/15M
DOT Classification:  3; Label: Flammable Liquid, Poison (UN 1228); DOT Class: 6.1; Label: Poison, Flammable Liquid (UN 3071)