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| CAS No.: | 109-79-5 |
|---|---|
| Name: | 1-Butanethiol |
| Article Data: | 120 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H10S |
| Molecular Weight: | 90.1894 |
| Synonyms: | 1-Butylmercaptan;1-Mercaptobutane;Butyl mercaptan;Butylthiol;Thiobutyl alcohol;n-Butane-1-thiol;n-Butanethiol;n-Butyl mercaptan;n-Butylthioalcohol;n-Butylthiol;1-Butanethiol; |
| EINECS: | 203-705-3 |
| Density: | 0.84 g/cm3 |
| Melting Point: | -116 °C(lit.) |
| Boiling Point: | 98.2 °C at 760 mmHg |
| Flash Point: | 12.8 °C |
| Solubility: | Slightly soluble in water |
| Appearance: | colourless liquid |
| Hazard Symbols: |
 F, Xn
|
| Risk Codes: | 11-20/22-36/37/38-21/22 |
| Safety: | 16-23-26-36-9-36/37-33 |
| Transport Information: | UN 2347 3/PG 2 |
| PSA: | 38.80000 |
| LogP: | 1.71630 |
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| Conditions | Yield |
|---|---|
| With water In pentane addn. of a mixture (1:3) of water and pentane under Ar at room temperature; removing solvent and volatile compounds (BuSH) by vac. condensation;; | A 100% B 91% C 96% |
| Conditions | Yield |
|---|---|
| With hydrosulfide exchange resin In acetonitrile at 25℃; for 0.25h; Product distribution; other halides, var. temp.; | 98% |
| With hydrosulfide exchange resin In acetonitrile at 25℃; for 0.25h; | 98% |
| Stage #1: 1-bromo-butane With thiourea In ethanol for 3h; Heating; Stage #2: With sodium hydroxide In ethanol for 2h; Heating; | 72% |
- 629-45-8
dibutyl disulfide
- 123-38-6
propionaldehyde
A
- 109-79-5
1-butanethiol
B
- 2432-44-2
butyl thiopropionate
| Conditions | Yield |
|---|---|
| at 5℃; for 2.5h; Mechanism; Irradiation; reductive acylation under photochemical conditions; other linear symmetrical disulfides; other aldehydes; | A 87% B 97% |
| at 5℃; for 2.5h; Irradiation; | A 87% B 97% |
| Conditions | Yield |
|---|---|
| at 40-45°C, boran:amine mol ratio 1:1; | A 95% B n/a |
- 83962-23-6
Cyclohexyl-dithiocarbamic acid butyl ester
A
- 109-79-5
1-butanethiol
B
- 1122-82-3
isothiocyanatocyclohexane
| Conditions | Yield |
|---|---|
| at 250 - 260℃; | A 93% B 92% |
| Conditions | Yield |
|---|---|
| With hydrosulfide exchange resin In acetonitrile at 0℃; for 0.25h; | 93% |
| Conditions | Yield |
|---|---|
| at 250 - 260℃; | A 92% B 87% |
| Conditions | Yield |
|---|---|
| With sodium hydrogen telluride In ethanol 1.) 0 deg C, 2.) 40 deg C, 30 min; | 91% |
| With triisopropoxyborohydride In tetrahydrofuran at 25℃; for 5h; | 81% |
| With sodium tetrahydroborate; lithium chloride In tetrahydrofuran at 0 - 35℃; | 60% |
- 19911-91-2
n-Butyl-N-phenylthioformimidat
- 109-79-5
1-butanethiol
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water Ambient temperature; | 90% |
| Conditions | Yield |
|---|---|
| at 40-45°C, boran:amine mol ratio 1:2 M; | A 87% B n/a |
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Chemistry
IUPAC Name: Butane-1-thiol
Molecular Formula: C4H10S
Molecular Weight: 90.18g/mol
EINECS: 203-705-3
Density: 0.84
Melting Point: -116°C
Flash Point: 12 ºC
Freely Rotating Bonds: 3
Polar Surface Area: 38.8 Å2
Enthalpy of Vaporization: 32.23 kJ/mol
Boiling Point: 98.2 °C at 760 mmHg
Vapour Pressure: 46.3 mmHg at 25°C
The Cas Register Number of 1-Butanethiol is 109-79-5 .The chemical synonyms of 1-Butanethiol (CAS No.109-79-5) are Thiobutyl alcohol ; N-butyl thioalcohol ; N-Butanethiol ; N-Butyl mercaptan ; 1-Butanethiol[qr] ; Butanethiol(non-specificname) ; Butanethiol[qr] ; Butylmercaptan(non-specificname) .Product categories of 1-Butanethiol (CAS No.109-79-5) are Industrial/Fine chemicals ; Thiol flavor .The molecular structure of 1-Butanethiol (CAS No.109-79-5) is
.
Uses
It can be used as an industrial solvent, and as an intermediate for insecticides and herbicides.
Toxicity Data With Reference
| 1. | ratLD50:1500mg/kg | American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. | ||
| 2. | ratLD50:399mg/kg | American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. | ||
| 3. | mouseLD50:3gm/kg | Prehled Prumyslove Toxikologi ; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 982, 1986. | ||
| 4. | dogLC50:770ppm/30M | Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 982, 1986. |
Safety Profile
Hazard Codes: 
F 
Xn
Risk Statements: 11-20/22-36/37/38-21/22
R11: Highly flammable.
R20/22: Harmful by inhalation and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
R21/22: Harmful in contact with skin and if swallowed.
Safety Statements: 16-23-26-36-9-36/37-33
S16: Keep away from sources of ignition.
S23: Do not breathe vapour.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36: Wear suitable protective clothing.
S9: Keep container in a well-ventilated place.
S36/37: Wear suitable protective clothing and gloves.
S33: Take precautionary measures against static discharges.
RIDADR: UN2347 3/PG 2
WGK Germany: 3
RTECS EK: 6300000
F: 10-13-23
HazardClass: 3
PackingGroup: II
Specification
The extinguishing agent of 1-Butanethiol (CAS No.109-79-5) are dry powder, foam, sand, carbon dioxide, water mist.