| Identification | More | [Name]
Dibutyl sulfide | [CAS]
544-40-1 | [Synonyms]
1,1'-Thiobisbutane
BUTYL SULFIDE
BUTYL SULPHIDE
BUTYLTHIOBUTANE
DIBUTYL SULFIDE
DIBUTYL SULPHIDE
DIBUTYLTHIOETHER
DI-N-BUTYL SULFIDE
DI-N-BUTYL SULPHIDE
FEMA 2215
'LGC' (4000)
N-BUTYL SULFIDE
(n-C4H9)2S
1-(Butylsulfanyl)butane
1,1’-thiobis-butan
5-Thianonane
Butane, 1,1'-thiobis-
Butane,1,1’-thiobis-
Butyl monosulfide
butylmonosulfide | [EINECS(EC#)]
208-870-5 | [Molecular Formula]
C8H18S | [MDL Number]
MFCD00009468 | [Molecular Weight]
146.29 | [MOL File]
544-40-1.mol |
| Chemical Properties | Back Directory | [Appearance]
colourless liquid with a very unpleasant smell | [Melting point ]
-76 °C (lit.) | [Boiling point ]
188-189 °C (lit.) | [density ]
0.838 g/mL at 25 °C(lit.)
| [vapor density ]
5.07 (vs air)
| [vapor pressure ]
5.17 mm Hg ( 37.7 °C)
| [FEMA ]
2215 | [refractive index ]
n20/D 1.452(lit.)
| [Fp ]
170 °F
| [storage temp. ]
Store below +30°C. | [form ]
Liquid | [color ]
Clear colorless to very slightly yellow | [Odor]
at 0.10 % in dipropylene glycol. green grassy violet-leaf herbal rose geranium | [Stability:]
Stable. Combustible. Incompatible with strong oxidizing agents. | [biological source]
synthetic | [Odor Threshold]
0.00051ppm | [Odor Type]
alliaceous | [Water Solubility ]
Silghtly miscible with water. Miscible with olive oil and almond oil. | [Specific Heat Capacity]
Cp(liquid):284.3J/(g·K),at 25℃ | [JECFA Number]
455 | [Merck ]
14,1590 | [BRN ]
1732829 | [Henry's Law Constant]
1.3×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003) | [Dielectric constant]
4.4100000000000001 | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C8H18S/c1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3 | [InChIKey]
HTIRHQRTDBPHNZ-UHFFFAOYSA-N | [SMILES]
CCCCSCCCC | [LogP]
3.87 | [CAS DataBase Reference]
544-40-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Di-n-butyl sulfide(544-40-1) | [EPA Substance Registry System]
544-40-1(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H227-H303-H315-H319-H335 | [Precautionary statements ]
P210e-P261-P280a-P305+P351+P338-P405-P501a-P210-P280-P370+P378-P403+P235-P501 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
2810 | [WGK Germany ]
2
| [RTECS ]
ER6417000
| [F ]
13 | [TSCA ]
Yes | [HazardClass ]
6.1(b) | [PackingGroup ]
III | [HS Code ]
29309070 | [Storage Class]
10 - Combustible liquids | [Toxicity]
LD50 orally in Rabbit: 2220 mg/kg |
| Questions And Answer | Back Directory | [Description]
Dibutyl sulfide (also named as butyl sulfide; N-butyl sulfide; Di-n-butyl sulfide; butylthiobutane), a colorless to pale yellow clear liquid, is a symmetric thioether. Dibutyl sulfide is found in raw cabbage, boiled and cooked beef, and some varieties of mushroom.
Dibutyl sulfide is typically used as a flavoring agent. As a thioether, dibutyl sulfide has applications in organic synthesis as a solvent as well as a reagent. It is used to synthesize specific compound classes including property-enhancing additives, pharmacological drugs, chemical resistant polymers, detergents, and rubber antioxidants. Dibutyl sulfide can also be used as an agricultural intermediate, a sulfiding agent, a refinery catalyst, a lubricant additive, a gas odorant, and a processing aid in mining applications. Furthermore, it can be used as an internal standard in X-ray fluorescence spectrometry (XRF) measurements of sulfur in oils and other liquid hydrocarbon matrices.
| [References]
[1] George A. Burdock (1996) Encyclopedia of Food and Color Additives, Band 1
[2] http://chemicalland21.com/specialtychem/NH/DIBUTYL%20SULFIDE.htm
|
| Hazard Information | Back Directory | [Chemical Properties]
Butyl sulfide has an herbaceous, green, garlic, onion, heavy odor. | [Chemical Properties]
colourless liquid with a very unpleasant smell | [Occurrence]
Reported found in raw cabbage, cooked beef and mushrooms. | [Uses]
Di-n-butyl sulfide is generally used as an agricultural intermediate, a sulfiding agent, a refinery catalyst, a lubricant additive, a gas odorant and a processing aid in mining applications. It finds application as an internal standard in X-ray fluorescence spectrometry (XRF) measurements of sulfur in oils and other liquid hydrocarbon matrices. | [Definition]
ChEBI: Dibutyl sulfide is an aliphatic sulfide. | [Preparation]
From butyl bromide and sodium sulfide in boiling ethanol; according to some authors two forms exist, exhibiting different
boiling points but identical solubilities in various solvents; both forms are insoluble in water. | [Aroma threshold values]
Recognition: 0.88 ppb | [Synthesis Reference(s)]
Journal of the American Chemical Society, 73, p. 2251, 1951 DOI: 10.1021/ja01149a096
Tetrahedron Letters, 29, p. 4477, 1988 DOI: 10.1016/S0040-4039(00)80527-4 | [General Description]
| [Biochem/physiol Actions]
Taste at 5 ppm | [Purification Methods]
Wash the sulfide with aqueous 5% NaOH, then water. Dry with CaCl2 and distil it from sodium. [Beilstein 1 IV 1559.] |
|
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