107-03-9
1-Propanethiol
CAS: 107-03-9
Molecular Formula: C3H8S
107-03-9 - Names and Identifiers
| Name | 1-Propanethiol |
| Synonyms | FEMA 3521 MERCAPTAN C3 1-Propanethoil 1-Propanethiol propane-1-thiol Propyl mercaptan 1-propylmercaptan 1-Mercaptopropane n-Propyl mercaptan 1-Propyl mercaptan sodium propane-1-thiolate propanethiol(non-specificname) propylmercaptan(non-specificname) |
| CAS | 107-03-9 |
| EINECS | 203-455-5 |
| InChI | InChI=1/C3H8S.Na/c1-2-3-4;/h4H,2-3H2,1H3;/q;+1/p-1 |
107-03-9 - Physico-chemical Properties
| Molecular Formula | C3H8S |
| Molar Mass | 76.16 |
| Density | 0.841g/mLat 25°C(lit.) |
| Melting Point | -113 °C |
| Boling Point | 67-68°C(lit.) |
| Flash Point | −5°F |
| JECFA Number | 509 |
| Water Solubility | immiscible |
| Solubility | 1.9g/l |
| Vapor Presure | 122 mm Hg ( 20 °C) |
| Vapor Density | 2.54 (vs air) |
| Appearance | Liquid |
| Color | Colorless |
| Exposure Limit | NIOSH: Ceiling 0.5 ppm(1.6 mg/m3) |
| BRN | 1696860 |
| pKa | pK1:10.86 (25°C) |
| Storage Condition | Store below +30°C. |
| Sensitive | Air Sensitive |
| Refractive Index | n20/D 1.437(lit.) |
| Physical and Chemical Properties | Propanethiol is a colorless liquid, has an undesirable odor, M.P.-113.3 ℃, B. p.67.73 ℃,n20D 1.4380, relative density 0.8408(20/4 ℃), soluble in alcohol and ether, very slightly soluble in water. |
| Use | Can be used as raw materials for organic synthesis, is also an intermediate of pesticide and pesticide. |
107-03-9 - Risk and Safety
| Risk Codes | 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 Description | S16 - Keep away from sources of ignition. 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. |
| UN IDs | UN 2402 3/PG 2 |
| WGK Germany | 3 |
| RTECS | TZ7300000 |
| FLUKA BRAND F CODES | 13 |
| TSCA | Yes |
| HS Code | 29309070 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 orally in Rabbit: 1790 mg/kg |
107-03-9 - Nature
Open Data Verified Data
colorless or light yellow liquid. Melting Point -130.5 °c. Boiling point of 67~68 deg C. The relative density was 0.8415. Refractive index 43832. Slightly soluble in alcohol and ether.
Last Update：2024-01-02 23:10:35
107-03-9 - Preparation Method
Open Data Verified Data
- derived from the interaction of bromopropane with thiourea.
- derived from the interaction of halogenated propane with sodium hydrosulfide.
- derived from the interaction of propanol and hydrogen sulfide
Last Update：2022-01-01 10:37:38
107-03-9 - Use
Open Data Verified Data
raw materials for organic synthesis, intermediates of pesticides and insecticides.
Last Update：2022-01-01 10:37:38
107-03-9 - Safety
Open Data Verified Data
- This product heat decomposition release sulfur oxide smoke, stimulate and inhibit the central nervous system, can stimulate the respiratory tract, Fever, muscle weakness, hemolytic anemia, methemoglobinemia, hematuria, proteinuria, cyanosis, spasm, resulting in loss of consciousness. Mouse LD503 g/kg. The maximum allowable concentration in air is 1.5mg/m3. Production Workshop should be reasonable ventilation, with goggles, gas masks, wear rubber protective clothing.
- this product should be kept away from the fire source and separated from the oxidant and acidic substances. Into the glass bottle and plastic bottle of the screw mouth or the pressure mouth of the iron cover, close closed, and then put into a strong wooden box, inside the box with a straw mat bushing or other soft material liner, the external use of the box with iron or wire, iron sheet reinforcement. The net weight per barrel shall not exceed 20kg. Put it into metal containers or plastic bottles, and then put it into full floor through-cage wooden box or strong thick cardboard box, strip, bamboo box, fiber box, inside with soft material liner, external use of iron sheet tight box. The net weight of each box is 20kg, and the net weight of each bottle is lkg.
Last Update：2022-01-01 10:37:39
107-03-9 - Reference Information
| FEMA | 3521 | PROPANETHIOL |
| olfactory Threshold | 0.000013ppm |
| LogP | 1.7 at 20℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | the structure of n-propyl mercaptan is that the oxygen of n-Propyl alcohol is replaced with sulfur. N-propyl mercaptan is a colorless liquid, volatile, and skunks rat odor. N-propyl mercaptan insoluble in water, soluble in alcohol, ether. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): Beverage, cold drink, pudding, jam, gelatin jelly, 1.0; candy 1.25; Baked products 0.929; Meat products 2.2; Soup products 3.0. FDA,§ 172.515(2000): Appropriate amount is limited to |
| Use | propanethiol is N-propanethiol, also known as thiopropanol, 1-mercaptopropane, in the production of pesticides can be used for the synthesis of organophosphorus insecticides propylsulfur phosphorus, sulfur phosphorus, nematicide and soil insecticide insecticide phosphorus, herbicide grams grass enemy intermediates, also used as intermediates in other organic synthesis. used as intermediates in pesticides and other organic synthesis. it can be used as raw materials for organic synthesis, and is also an intermediate of pesticide and insecticide. 1-propanethiol is used as an organic synthesis reactant for several organic compounds, including organic synthesis reactants rich in leucine repeat kinase 2(LRRK2) inhibitors, which have potential for the treatment of Parkinson's disease. It is also used as a component of certain herbicides. |
| production method | 1. Obtained by the reaction of bromopropane with thiourea. The methanol solution of thiourea and bromopropane was refluxed for 3H. After methanol was recovered, dilute sodium hydroxide solution was added and refluxed for 6H. Then, dilute sulfuric acid was slowly added dropwise, and propanethiol was distilled at any time. After the addition of dilute sulfuric acid was completed, the distillation was continued until no oil beads were distilled. The collected oil layer was crude, dried with anhydrous calcium chloride, and then distilled, and the fraction with boiling point of 66.5-76.5 ° C. Was collected as the finished product. 2. By the role of halogenated propane and sodium hydrosulfide derived. 3. Propyl mercaptan can also be obtained by catalytic reaction of propyl alcohol with hydrogen sulfide at 300-380 °c. The preparation method is derived from the reaction of bromopropane with thiourea. Thiourea and bromopropane were refluxed in methanol solution for 3H. After methanol was recovered, dilute sodium hydroxide solution was added and refluxed for 6H. Then, dilute sulfuric acid was slowly added dropwise, followed by distillation of propanethiol. After the addition of dilute sulfuric acid was completed, the distillation was continued until no oil beads were distilled. The collected oil layer was a crude product, dried with anhydrous calcium chloride, and then subjected to rectification, and the B. p.66.5 ~ 76.5 ° C. Fraction was collected as the finished product. In addition, propanethiol can also be obtained by catalytic reaction of propanol and hydrogen sulfide at 300 to 380 °c. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 19:55:45
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107-03-9
4-(4-BROMO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-Propenoic acid, 4-(4-benzoylphenoxy)carbonyloxybutyl ester
4-Hydroxybenzoic acid phenacyl ester
Anadurm Black S-BGL
4-(4-BROMO-PHENYL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-Propenoic acid, 4-(4-benzoylphenoxy)carbonyloxybutyl ester
4-Hydroxybenzoic acid phenacyl ester
Anadurm Black S-BGL