| Identification | More | [Name]
1-Propanethiol | [CAS]
107-03-9 | [Synonyms]
1-PROPANETHIOL
FEMA 3521
MERCAPTAN C3
NPM(TM)
N-PROPYL MERCAPTAN
PROPYL MERCAPTAN
1-Mercaptopropane
1-Propanethoil
1-Propyl mercaptan
1-propylmercaptan
3-mercaptopropanol
mercaptanpropyliquenormal
n-C3H7SH
n-propylthiol
n-thiopropylalcohol
Propane-1-thiol
Propanethiol
propanethiol(non-specificname)
propylmercaptan(non-specificname)
n-propylmercapatan | [EINECS(EC#)]
203-455-5 | [Molecular Formula]
C3H8S | [MDL Number]
MFCD00004900 | [Molecular Weight]
76.16 | [MOL File]
107-03-9.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colourless liquid | [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 | [refractive index ]
n20/D 1.437(lit.)
| [Fp ]
−5 °F
| [storage temp. ]
Flammables area | [solubility ]
1.9g/l | [form ]
Liquid | [pka]
pK1:10.86 (25°C) | [color ]
Colorless | [Odor]
at 0.10 % in propylene glycol. cabbage natural gas sweet onion | [biological source]
synthetic | [Odor Threshold]
0.000013ppm | [Odor Type]
alliaceous | [Water Solubility ]
immiscible | [Specific Heat Capacity]
Cp(liquid):144.6J/(g·K),at 25℃ | [Sensitive ]
Air Sensitive | [JECFA Number]
509 | [BRN ]
1696860 | [Henry's Law Constant]
1.7×10-3 mol/(m3Pa) at 25℃, Plyasunova et al. (2004) | [Exposure limits]
NIOSH: Ceiling 0.5 ppm(1.6 mg/m3) | [InChI]
1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3 | [InChIKey]
SUVIGLJNEAMWEG-UHFFFAOYSA-N | [SMILES]
CCCS | [LogP]
1.7 at 20℃ | [Uses]
Chemical intermediate, herbicide.
| [CAS DataBase Reference]
107-03-9(CAS DataBase Reference) | [NIST Chemistry Reference]
1-Propanethiol(107-03-9) | [EPA Substance Registry System]
1-Propanethiol (107-03-9) |
| Safety Data | Back Directory | [Symbol(GHS) ]
  
GHS02,GHS07,GHS09 | [Signal word ]
Danger | [Hazard statements ]
H225-H302-H317-H410 | [Precautionary statements ]
P210-P233-P273-P280-P301+P312-P303+P361+P353 | [Hazard Codes ]
F,Xn,N | [Risk Statements ]
R11:Highly Flammable.
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R50:Very Toxic to aquatic organisms.
R36/37/38:Irritating to eyes, respiratory system and skin .
R21/22:Harmful in contact with skin and if swallowed . | [Safety Statements ]
S16:Keep away from sources of ignition-No smoking .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S57:Use appropriate container to avoid environmental contamination .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S29:Do not empty into drains . | [OEL]
Ceiling: 0.5 ppm (1.6 mg/m3) [15-minute] | [RIDADR ]
UN 2402 3/PG 2
| [WGK Germany ]
3
| [RTECS ]
TZ7300000
| [F ]
13 | [TSCA ]
Yes | [REACH Registrations]
Active | [HazardClass ]
3 | [PackingGroup ]
II | [HS Code ]
29309070 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Flam. Liq. 2
Skin Sens. 1B | [Safety Profile]
A 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. | [Hazardous Substances Data]
107-03-9(Hazardous Substances Data) | [Toxicity]
LD50 orally in Rabbit: 1790 mg/kg |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Thiourea-->Calcium chloride-->Water-->Hydrogen Sulfide-->Sodium hydrosulfide-->1-Bromopropane | [Preparation Products]
Albendazole-->Ethoprophos-->1-Propanesulphonylacetonitrile-->SULPROFOS-->WL 108477-->VERNOLATE-->propyl dichlorodithiophosphate-->CADUSAFOS-->1-Propanesulfinic acid-->6-Bromo-3,4-methylenedioxybenzoic acid-->1-Propanesulfonic acid-->1,2-Dibromohexafluoropropane-->S-n-Propyl thioacetate-->2-[[(3aS,4R,6S,6aR)-4-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy]ethanol-->2-(propylthio)ethanamine(SALTDATA: HCl) |
| Hazard Information | Back Directory | [General Description]
A 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. | [Reactivity Profile]
PROPYL MERCAPTAN(107-03-9) 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]. | [Air & Water Reactions]
Highly flammable. Vapors explosive when exposed to heat, flame or sparks. Slightly soluble in water. | [Hazard]
Highly flammable, dangerous fire risk.
| [Health Hazard]
Inhalation 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 Hazard]
Special Hazards of Combustion Products: Toxic sulfur dioxide is generated. | [Description]
Propane 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 Properties]
clear colourless liquid | [Chemical Properties]
Propanethiol 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 Properties]
Propyl mercaptan has a characteristic odor of cabbage. Below 2 to 3 ppm, it has a sweet onion and cabbage-like flavor. | [Occurrence]
Reported 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). | [Definition]
ChEBI: An alkanethiol that is propane substituted by a thiol group at position 1. | [Preparation]
By 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. | [Flammability and Explosibility]
Flammable | [Purification Methods]
Purify 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.] | [Toxics Screening Level]
The Initial Threshold Screening Level for 1-propanethiol is 16 μg/m 3 with a 1-hour
averaging time. |
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