1-Propanethiol

1-Propanethiol Basic information
Product Name:1-Propanethiol
Synonyms:1-Mercaptopropane;1-Propanethoil;1-Propyl mercaptan;1-propylmercaptan;propanethiol(non-specificname);propylmercaptan(non-specificname);MERCAPTAN C3;FEMA 3521
CAS:107-03-9
MF:C3H8S
MW:76.16
EINECS:203-455-5
Product Categories:thiol Flavor
Mol File:107-03-9.mol
1-Propanethiol Structure
1-Propanethiol Chemical Properties
Melting point -113 °C
Boiling point 67-68 °C(lit.)
density 0.841 g/mL at 25 °C(lit.)
vapor density 2.54 (vs air)
vapor pressure 122 mm Hg ( 20 °C)
FEMA 3521 | PROPANETHIOL
refractive index n20/D 1.437(lit.)
Fp −5 °F
storage temp. Store below +30°C.
solubility 1.9g/l
pkapK1:10.86 (25°C)
form Liquid
color Colorless
Odorat 0.10 % in propylene glycol. cabbage natural gas sweet onion
Odor Threshold0.000013ppm
Odor Typealliaceous
Water Solubility immiscible
Sensitive Air Sensitive
JECFA Number509
BRN 1696860
Exposure limitsNIOSH: Ceiling 0.5 ppm(1.6 mg/m3)
LogP1.7 at 20℃
CAS DataBase Reference107-03-9(CAS DataBase Reference)
NIST Chemistry Reference1-Propanethiol(107-03-9)
EPA Substance Registry System1-Propanethiol (107-03-9)
Safety Information
Hazard Codes F,Xn,N
Risk Statements 11-22-37/38-41-50-36/37/38-21/22
Safety Statements 16-26-39-57-36/37/39-29
RIDADR UN 2402 3/PG 2
WGK Germany 3
RTECS TZ7300000
13
TSCA Yes
HazardClass 3
PackingGroup II
HS Code 29309070
Hazardous Substances Data107-03-9(Hazardous Substances Data)
ToxicityLD50 orally in Rabbit: 1790 mg/kg
MSDS Information
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1-Propanethiol English
SigmaAldrich English
ACROS English
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1-Propanethiol Usage And Synthesis
DescriptionPropane thiol is an organic compound with the molecular formula C3H8S. It belongs to the group of thiols. It is a colorless liquid with a strong, offensive odor. It is moderately toxic and is less dense than water and slightly soluble in water. It is used as a chemical intermediate and a herbicide . It is highly flammable and it gives off irritating or toxic fumes (or gases) in a fire. Heating it will cause rise in pressure with risk of bursting.
Chemical PropertiesPropanethiol is chemically classified among the thiols, which are organic compounds with molecular formulas and structural formulas similar to alcohols, except that sulfur-containing sulfhydryl group (- SH) replaces the oxygen - containing hydroxyl group in the molecule. Propanethiol's basic molecular formula is C3H7SH, and its structural formula is similar to that of the alcohol n-propanol.
Chemical PropertiesPropyl mercaptan has a characteristic odor of cabbage. Below 2 to 3 ppm, it has a sweet onion and cabbage-like flavor.
Chemical Propertiesclear colourless liquid
OccurrenceReported found in onion (Allium cepa L.), garlic, shallot, roasted onion, raw leek, heated leek, chive, cooked chicken, beef, beer, American potato chips and durian (Durio zibethinus).
Uses1-Propanethiol, is used widely in research areas. This compound has a wide range of applications including cell biology, materials science, nanoscience, self-assembled monolayers (SAMs), nanoelectronics, and contact printing. It is also used as a chemical intermediate.
Uses1-PP can be used as a capping agent that improves the thermal stability and light absorption of silver nanoparticles (AgNPs), which can be incorporated into the perovskite solar cells. Gallium-arsenic (Ga-As) can be surface functionalized with 1-PP and can be potentially used in the fabrication of group VI precusors and self-assembled electron beam resists in semiconductor industry. It can also form a SAM on gold(111) surface that may be used to immobilize macromolecules.
UsesChemical intermediate, herbicide.
DefinitionChEBI: An alkanethiol that is propane substituted by a thiol group at position 1.
PreparationBy reacting propyl alcohol and H2S under particular conditions; from propyl alcohol or propyl disulfide and naphthalene; from n-propyl chloride and potassium hydrosulfide; also from n-propanol plus bromine plus red phosphorus in the presence of sodium sulfate.
General DescriptionA colorless liquid with a strong, offensive odor. Moderately toxic. Flash point below 0°F. Less dense than water and slightly soluble in water. Hence floats on water. Used as a chemical intermediate and a herbicide.
Air & Water ReactionsHighly flammable. Vapors explosive when exposed to heat, flame or sparks. Slightly soluble in water.
Reactivity Profile1-Propanethiol emits toxic fumes of oxides of sulfur when heated to decomposition. Reacts violently on contact with calcium hypochlorite [Chem. Eng. News, 1973, 51(26), p. 14].
HazardHighly flammable, dangerous fire risk.
Health HazardInhalation causes muscular weakness, convulsions, and respiratory paralysis; high concentrations may cause pulmonary irritation. Contact with liquid causes irritation of eyes and skin. Ingestion causes irritation of mouth and stomach.
Fire HazardSpecial Hazards of Combustion Products: Toxic sulfur dioxide is generated.
Flammability and ExplosibilityFlammable
Safety ProfileA poison. Moderately toxic by intraperitoneal route. Mildly toxic by inhalation. A severe eye irritant. A flammable liquid and very dangerous fire hazard when exposed to heat or flame. Explodes on contact with calcium hypochlorite. When heated to decomposition it emits toxic fumes of SOx. See also MERCAPTANS.
Purification MethodsPurify the thiol by dissolving it in aqueous 20% NaOH, extracting with a small amount of *benzene and steam distilling until clear. After cooling, the solution is acidified slightly with 15% H2SO4, and the thiol is distilled out, dried with anhydrous CaSO4 or CaCl2, and fractionally distilled under nitrogen. [Mathias & Filho J Phys Chem 62 1427 1958.] Also purify it by liberating the mercaptan by adding dilute HCl to the residue remaining after steam distilling. After direct distillation from the flask, and separation of the water, the mercaptan is dried (Na2SO4) and distilled under nitrogen. [Beilstein 1 IV 1449.]
PYRITHIOXIN DIHYDROCHLORIDE D-Cystine Propyl gallate Sodium thiomethoxide H-D-CYS(BZL)-OH 1,2-Ethanedithiol PYRITHIOXIN SODIUM ETHANETHIOLATE Propanethiol-(2),2-PROPANETHIOL 97+%,propane-2-thiol 1-Propanethiol METHYL MERCAPTAN Ethanethiol DI-N-BUTYL SULFOXIDE Propyl butyrate Isopropyl alcohol 2-Ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate 1-Dodecanethiol Allyl mercaptan

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