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Cas Database

Name	1-Dodecanethiol	EINECS	203-984-1
CAS No.	112-55-0	Density	0.845 g/cm³
PSA	38.80000	LogP	4.83710
Solubility	immiscible with water	Melting Point	-7 °C
Formula	C₁₂H₂₆S	Boiling Point	275.328 °C at 760 mmHg
Molecular Weight	202.404	Flash Point	87.778 °C
Transport Information	UN 1208 3/PG 2	Appearance	clear liquid
Safety	23-26-36/37/39-45-37/39-63-62-61-36/37-33-29-16-9	Risk Codes	37/38-41-42/43-36/37/38-67-65-62-51/53-48/20-38-11
Molecular Structure		Hazard Symbols	Xn,XiN,F
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;	Article Data	72

1-Dodecanethiol Synthetic route

: 2757-37-1
didodecyl disulfide

: 112-55-0
1-dodecylthiol

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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;

1-Dodecanethiol Chemical Properties

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

1-Dodecanethiol Toxicity Data With Reference

cyt-rat-ihl 5020 µg/m3/16W

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

1-Dodecanethiol Consensus Reports

Reported in EPA TSCA Inventory.

1-Dodecanethiol 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 SO_x. 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.;

1-Dodecanethiol 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)

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