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CAS No.: | 544-40-1 |
---|---|
Name: | Dibutyl sulfide |
Article Data: | 127 |
Molecular Structure: | |
Formula: | C8H18S |
Molecular Weight: | 146.297 |
Synonyms: | Butylsulfide (8CI);1,1'-Thiobisbutane;5-Thianonane;Butyl monosulfide;Butylthiobutane;Di-n-butyl sulfide;Di-n-butyl thioether;Dibutyl thioether;NSC 8460;Thiononane-5;n-Butyl sulfide;n-Dibutyl sulfide; |
EINECS: | 208-870-5 |
Density: | 0.838 g/cm3 |
Melting Point: | ?76 °C(lit.) |
Boiling Point: | 188.7 °C at 760 mmHg |
Flash Point: | 76.7 °C |
Solubility: | Silghtly miscible with water. Miscible with olive oil and almond oil. |
Appearance: | colourless liquid with a very unpleasant smell |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39-24/25 |
PSA: | 25.30000 |
LogP: | 3.31980 |
Conditions | Yield |
---|---|
With methylamine at 60℃; for 10h; | A 100% B n/a |
Conditions | Yield |
---|---|
With N,N-dimethylthioformamide; sulfuric acid In acetone at 30℃; for 3h; | 99% |
With N,N,N,N,N,N-hexamethylphosphoric triamide; samarium diiodide In tetrahydrofuran at 20℃; for 0.0166667h; | 99% |
With 2,4-diphenyl-1,3-diselenadiphosphetane-2,4-diselenide In toluene for 6h; Heating; | 99% |
Conditions | Yield |
---|---|
With sodium sulfide; aluminum oxide In toluene at 90℃; for 20h; | 98% |
With potassium ethyl xanthogenate at 120℃; for 12h; Inert atmosphere; | 95% |
With hexamethyldisilathiane; sodium methylate In tetrahydrofuran for 2.5h; Ambient temperature; | 87% |
Conditions | Yield |
---|---|
Stage #1: n-butanethiol With tetra-(n-butyl)ammonium iodide; caesium carbonate In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: 1-bromo-butane In N,N-dimethyl-formamide at 0 - 20℃; for 2h; | 93% |
In acetonitrile Ambient temperature; electrooxidation, supporting electrolyte Et4NBr; other organohalides, other sulfides; | 86% |
With 0.3 N Et4Br In acetonitrile electrolysis; other thiols, other halides; | 86% |
9,10-dihydro-10-methylacridine
butyl sulfoxide
A
10-methylacridinium cation
B
Dibutyl sulfide
Conditions | Yield |
---|---|
With perchloric acid; water In acetonitrile at 24.9℃; for 20h; Mechanism; Rate constant; Irradiation; other dialkyl sulfoxides; | A 92% B 92% |
Conditions | Yield |
---|---|
With sodium sulfide; aluminum oxide In toluene at 90℃; for 20h; | 89% |
n-Butyl chloride
A
Dibutyl sulfide
B
dibutyl disulfide
C
di-n-butyl trisulfide
Conditions | Yield |
---|---|
With potassium hydroxide; sulfur; hydrazine hydrate In water at 50 - 70℃; for 0.5h; | A 4.5% B 87% C 1.7% |
With potassium hydroxide; hydrazine hydrate In water at 50 - 70℃; for 0.5h; Product distribution; | |
With potassium hydroxide; hydrazine hydrate In water at 50 - 70℃; for 0.5h; | A 4.5 % Chromat. B 87.0 % Chromat. C 1.7 % Chromat. |
1-butanethiol
bis-phenoxymethyl ether
A
Dibutyl sulfide
B
dibutyl disulfide
C
bis<(n-butylthio)methyl> ether
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 150℃; for 5h; | A n/a B n/a C 85% |
Conditions | Yield |
---|---|
With aluminium trichloride; zinc In water; acetonitrile at 65℃; for 15h; | 84% |
Stage #1: dibutyl disulfide With aluminium trichloride; zinc In acetonitrile at 65℃; for 2h; Stage #2: butyl para-toluenesulfonate In water; acetonitrile at 65℃; for 15h; | 84% |
n-Butyl chloride
3-mercaptopropionic acid
A
1-butanethiol
B
Dibutyl sulfide
C
3-(butylthio)propionic acid
D
butyl 3-(butylthio)propanoate
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol at 140℃; for 0.166667h; microwave irradiation; Further byproducts.; | A n/a B n/a C 83% D n/a |
Molecular Structure of Butyl sulfide (CAS NO.544-40-1):
IUPAC Name: 1-Butylsulfanylbutane
Molecular Formula: C8H18S
Molecular Weight: 146.293520 g/mol
EINECS: 208-870-5
Product Categories: sulfide Flavor
Appearance: colourless liquid with a very unpleasant smell
Melting Point: -76 °C(lit.)
Density: 0.838 g/cm3
Flash Point: 76.7 °C
Enthalpy of Vaporization: 40.75 kJ/mol
Boiling Point: 188.7 °C at 760 mmHg
Vapour Pressure: 0.816 mmHg at 25 °C
Solubility: soluble in ether and ethanol
Water Solubility: 39.35 mg/L at 25 °C
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
Canonical SMILES: CCCCSCCCC
InChI: InChI=1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3
InChIKey: HTIRHQRTDBPHNZ-UHFFFAOYSA-N
Butyl sulfide (CAS NO.544-40-1) is used as a food flavor mainly used in the preparation of onion and garlic classes, floral aroma flavor.
1. | skn-rbt 500 mg/24H MOD | FCTXAV Food and Cosmetics Toxicology. 17 (1979),769. | ||
2. | orl-rat LD50:2220 mg/kg | FCTXAV Food and Cosmetics Toxicology. 17 (1979),769. | ||
3. | ihl-mus LCLo:1800 mg/m3 | FCTXAV Food and Cosmetics Toxicology. 17 (1979),769. |
Reported in EPA TSCA Inventory.
Safety Information of Butyl sulfide (CAS NO.544-40-1):
Hazard Codes:Xi
Risk Statements:36/37/38
36/37/38:Irritating to eyes, respiratory system and skin
Safety Statements:26-36/37/39-24/25
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
24/25:Avoid contact with skin and eyes
RIDADR:2810
WGK Germany:2
RTECS:ER6417000
HazardClass:6.1(b)
PackingGroup:III
F:13
Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits toxic fumes of SOx.
Butyl sulfide (CAS NO.544-40-1), its Synonyms are Butane, 1,1'-thiobis- ; Butyl monosulfide ; Butylthiobutane ; Di-n-butylsulfide ; Dibutyl sulfide ; Dibutyl sulphide ; Dibutyl thioether ; Thiononane-5 ; n-Butyl sulfide ; n-Butyl-sulfide ; n-Dibutyl sulfide .