Products Categories
| CAS No.: | 107-03-9 |
|---|---|
| Name: | 1-Propanethiol |
| Molecular Structure: | |
|
|
|
| Formula: | C3H8S |
| Molecular Weight: | 76.1625 |
| Synonyms: | 1-Mercaptopropane;1-Propyl mercaptan;1-Propylthiol;Propyl mercaptan;Propylthiol;n-Propanethiol;n-Propyl mercaptan;n-Propylthiol; |
| EINECS: | 203-455-5 |
| Density: | 0.826 g/cm3 |
| Melting Point: | -113 °C |
| Boiling Point: | 67.8 °C at 760 mmHg |
| Flash Point: | -20 °C |
| Solubility: | immiscible with water |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 F,  Xn,  N
|
| Risk Codes: | 11-41-50-36/37/38-21/22 |
| Safety: | 16-26-39-57-36/37/39-29 |
| Transport Information: | UN 2402 3/PG 2 |
| PSA: | 38.80000 |
| LogP: | 1.32620 |
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tripropyl phosphorotrithioite
- 120-80-9
benzene-1,2-diol
A
- 181-85-1
2,2-'spirobi(1,3,2-benzodioxaphosphole)
B
- 107-03-9
1-thiopropane
| Conditions | Yield |
|---|---|
| at 90 - 95℃; under 0.02 Torr; for 0.5h; | A 72% B 96% |
- 107-21-1
ethylene glycol
A
- 107-03-9
1-thiopropane
B
- 3646-10-4, 54515-09-2, 673460-28-1
1,4,6,9-tetraoxa-5λ5-phosphaspiro[4,4]nonane
C
- 109-89-7
diethylamine
| Conditions | Yield |
|---|---|
| at 120 - 130℃; for 1h; | A n/a B 90% C n/a |
| at 120 - 130℃; for 1h; Product distribution; | A n/a B 90% C n/a |
- 84839-06-5
dipropyl phenylphosphoramidodithioite
A
- 107-03-9
1-thiopropane
B
- 869-56-7
tripropyl phosphorotrithioite
C
- 62-53-3
aniline
| Conditions | Yield |
|---|---|
| at 175 - 180℃; for 10h; | A 0.7 g B 89% C 71% |
| at 175 - 180℃; for 10h; Product distribution; other reagent: water; presence of solvent: dioxane; other temperature and reaction time.; | A 0.7 g B 89% C 71% |
| Conditions | Yield |
|---|---|
| Stage #1: propyl bromide With thiourea In ethanol for 3h; Heating; Stage #2: With sodium hydroxide In ethanol for 2h; Heating; | 86% |
| With potassium hydroxide; hydrogen sulfide | |
| With hydrogen sulfide; sodium ethanolate zuletzt bei Siedetemperatur; | |
| With ethanol; potassium hydrosulfide | |
| With thiourea In ethanol Reflux; |
- 103-72-0
phenyl isothiocyanate
- 84839-06-5
dipropyl phenylphosphoramidodithioite
A
- 107-03-9
1-thiopropane
B
- 869-56-7
tripropyl phosphorotrithioite
C
- 102-08-9
N,N-diphenylthiourea
| Conditions | Yield |
|---|---|
| In hexane for 3h; Heating; | A n/a B 83% C 59% |
| Conditions | Yield |
|---|---|
| With tetraphosphorus decasulfide In toluene for 2h; Reflux; | 78% |
| Conditions | Yield |
|---|---|
| at 65℃; in the vacuum of an oil pump; | A 75% B 77% |
- 84839-06-5
dipropyl phenylphosphoramidodithioite
A
- 107-03-9
1-thiopropane
B
- 869-56-7
tripropyl phosphorotrithioite
C
- 33921-12-9
anilinium dihydrogen phosphite
D
- 62-53-3
aniline
| Conditions | Yield |
|---|---|
| With water In 1,4-dioxane for 72h; Further byproducts given; | A n/a B 61% C 67% D 26% |
- 123-42-2
4-Hydroxy-4-methyl-2-pentanone
- 16543-44-5
Ethylthiophosphinsaeure-propylester-chlorid
A
- 107-03-9
1-thiopropane
B
- 19016-65-0
2-ethyl-3,3,5-trimethyl-1,2-oxaphosphol-4-ene 2-oxide
C
- 51805-02-8
(1,1-Dimethyl-3-oxo-butyl)-ethyl-phosphinothioic acid S-propyl ester
| Conditions | Yield |
|---|---|
| A 10% B 11% C 56% |
- 52687-98-6
1,4-di(n-propyl)tetrasulfane
A
- 534-25-8
1,2-dithiole-3-thione
B
- 107-03-9
1-thiopropane
C
- 111-47-7
propyl sulfide
D
- 629-19-6
Dipropyl disulfide
| Conditions | Yield |
|---|---|
| at 350℃; | A 52% B 14% C 4% D 15% |
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- Total:27 Page 1 of 1 1
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Chemistry
Molecular Structure of 1-Propanethiol (CAS NO.107-03-9):
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IUPAC Name: Propane-1-thiol
Canonical SMILES: CCCS
InChI: InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
InChIKey: SUVIGLJNEAMWEG-UHFFFAOYSA-N
Molecular Weight: 76.16062 [g/mol]
Molecular Formula: C3H8S
XLogP3: 1.8
EINECS: 203-455-5
Product Categories: thiol Flavor
Index of Refraction: 1.431
Surface Tension: 23.7 dyne/cm
Density: 0.826 g/cm3
Flash Point: -5 °F
Melting point: -113 °C
Enthalpy of Vaporization: 29.54 kJ/mol
Boiling Point: 67.8 °C at 760 mmHg
Vapour Pressure: 156 mmHg at 25 °C
Storage temp: Flammables area
Water Solubility : immiscible.
Appearance: clear colourless liquid.
Classification Code: Skin / Eye Irritant
Uses
1-Propanethiol (CAS NO.107-03-9) can be used as raw materials of organic synthesis, is also a pesticide intermediate.
Production
1-Propanethiol (CAS NO.107-03-9)derived by the reaction of thiourea with bromopropane .
Thiourea with bromine in methanol solution, refluxed 3h, recovery of methanol, add dilute sodium hydroxide solution and then refluxed 6h.Then, slowly drop dilute sulfuric acid, with the increase steamed out Propanethiol, when the sulfuric acid plus finished, continue distillation until no oil is up steamed. Collected the crude oil layer, drying with anhydrous calcium chloride, and then distillation, collecting (Boiling point : 66.5 ~ 76.5 °C ) distillation ,which is 1-Propanethiol (CAS NO.107-03-9).
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LC50 | inhalation | 4010ppm/4H (4010ppm) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE | American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. |
| rat | LC50 | inhalation | 7300ppm/4H (7300ppm) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE | American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. |
| rat | LD50 | intraperitoneal | 515mg/kg (515mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: COMA | American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. |
| rat | LD50 | oral | 1790mg/kg (1790mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: COMA | American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. |
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.
Hazard Codes: 
F,
Xn,
N
Risk Statements: 11-41-50-36/37/38-21/22
R11:Highly flammable.
R41:Risk of serious damage to the 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: 16-26-57-36/37/39-29
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S29:Do not empty into drains.
S57:Use appropriate container to avoid environmental contamination.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 2402 3/PG 2
WGK Germany: 3
RTECS: TZ7300000
F: 13
HazardClass: 3
PackingGroup: II
Specification
1-Propanethiol (CAS NO.107-03-9), its Synonyms are 1-Mercaptopropane ; 1-Propyl mercaptan ; Propyl mercaptan ; Propylthiol ; n-Propanethiol ; n-Propyl mercaptan ; n-Propylthiol .