Molecular formula
C5H12S2

SMILES
CC(C)CSSC

Fragrance
Sulfurous	89.75%
Onion	77.89%
Alliaceous	76.13%
Green	75.29%
Vegetable	73.02%
Garlic	69.31%
Meaty	61.87%
Savory	61.2%
Cooked	47.06%
Roasted	41.8%

 

Flavor
Onion	64.63%
Sulfurous	64.53%
Garlic	47.39%
Sulfury	39.27%
Meaty	38.77%
Alliaceous	37.8%
Green	35.78%
Cabbage	32.33%
Cooked	30.26%
Metallic	25.85%

 

Odor impact est.
High

XLogP3-AA
2.2

pKa est.
4.97 (weak acid)

Molecular weight
136.3 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very fast

Boiling point est.
170°C

Flash point

• 42.18 ˚C est.

• Methyl i-butyl disulfide
• Methyl isobutyl disulphide
• Methyl 2-methylpropyl disulfide
• 2-Methyl-4,5-dithiahexane
• methylisobutyldisulphide
• Isobutyl methyl disulfide
• Disulfide, isobutyl methyl
• SCHEMBL575872
• Disulfide, methyl 2-methylpropyl
• JQMZTHKFYCOSKU-UHFFFAOYSA-N

Methyl i-butyl disulfide is commonly used as a sulfur-containing fragrance ingredient in perfumery, and may also function as a fragrance fixative in cosmetic formulations. It can be incorporated into household products and cleaning agents to impart a characteristic odor; it may serve as an intermediate in industrial chemical synthesis; and it can be encountered as a precursor for sulfur-containing compounds used in polymers/plastics or coatings/inks, depending on process conditions and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	233.03
methanol	162.99
isopropanol	288.75
water	0.2
ethyl acetate	553.57
n-propanol	283.08
acetone	887.62
n-butanol	351.94
acetonitrile	325.57
DMF	633.28
toluene	694.4
isobutanol	299.09
1,4-dioxane	909.44
methyl acetate	501.5
THF	1849.37
2-butanone	762.23
n-pentanol	236.64
sec-butanol	331.11
n-hexane	295.66
ethylene glycol	50.48
NMP	928.34
cyclohexane	661.9
DMSO	671.18
n-butyl acetate	923.64
n-octanol	365.81
chloroform	1384.85
n-propyl acetate	387.07
acetic acid	229.59
dichloromethane	981.0
cyclohexanone	1539.42
propylene glycol	114.85
isopropyl acetate	461.15
DMAc	540.47
2-ethoxyethanol	248.75
isopentanol	326.68
n-heptane	571.45
ethyl formate	267.82
1,2-dichloroethane	683.99
n-hexanol	640.12
2-methoxyethanol	361.96
isobutyl acetate	342.18
tetrachloromethane	431.79
n-pentyl acetate	457.4
transcutol	847.02
n-heptanol	326.11
ethylbenzene	320.14
MIBK	529.33
2-propoxyethanol	658.88
tert-butanol	486.39
MTBE	643.26
2-butoxyethanol	372.81
propionic acid	279.21
o-xylene	444.66
formic acid	32.62
diethyl ether	604.64
m-xylene	524.67
p-xylene	398.72
chlorobenzene	718.6
dimethyl carbonate	195.15
n-octane	175.09
formamide	48.35
cyclopentanone	1680.59
2-pentanone	762.51
anisole	460.89
cyclopentyl methyl ether	1156.57
gamma-butyrolactone	1211.37
1-methoxy-2-propanol	418.56
pyridine	787.51
3-pentanone	632.4
furfural	853.38
n-dodecane	108.2
diethylene glycol	304.13
diisopropyl ether	349.86
tert-amyl alcohol	435.49
acetylacetone	754.71
n-hexadecane	127.04
acetophenone	448.05
methyl propionate	448.94
isopentyl acetate	807.95
trichloroethylene	1236.29
n-nonanol	323.42
cyclohexanol	677.8
benzyl alcohol	302.39
2-ethylhexanol	572.66
isooctanol	277.68
dipropyl ether	895.09
1,2-dichlorobenzene	631.79
ethyl lactate	195.68
propylene carbonate	723.95
n-methylformamide	204.94
2-pentanol	336.87
n-pentane	265.12
1-propoxy-2-propanol	734.49
1-methoxy-2-propyl acetate	725.86
2-(2-methoxypropoxy) propanol	358.69
mesitylene	412.65
ε-caprolactone	973.29
p-cymene	398.11
epichlorohydrin	979.67
1,1,1-trichloroethane	1050.95
2-aminoethanol	99.78
morpholine-4-carbaldehyde	776.45
sulfolane	1566.85
2,2,4-trimethylpentane	141.59
2-methyltetrahydrofuran	1352.34
n-hexyl acetate	662.43
isooctane	140.44
2-(2-butoxyethoxy)ethanol	466.99
sec-butyl acetate	332.28
tert-butyl acetate	642.37
decalin	242.11
glycerin	135.61
diglyme	831.0
acrylic acid	217.16
isopropyl myristate	349.24
n-butyric acid	495.17
acetyl acetate	393.35
di(2-ethylhexyl) phthalate	232.45
ethyl propionate	361.91
nitromethane	403.55
1,2-diethoxyethane	610.23
benzonitrile	515.95
trioctyl phosphate	212.75
1-bromopropane	672.19
gamma-valerolactone	1299.88
n-decanol	247.75
triethyl phosphate	283.48
4-methyl-2-pentanol	237.52
propionitrile	390.87
vinylene carbonate	535.69
1,1,2-trichlorotrifluoroethane	609.78
DMS	366.74
cumene	239.7
2-octanol	284.8
2-hexanone	506.49
octyl acetate	390.15
limonene	746.1
1,2-dimethoxyethane	582.64
ethyl orthosilicate	289.13
tributyl phosphate	249.55
diacetone alcohol	575.44
N,N-dimethylaniline	339.27
acrylonitrile	363.71
aniline	477.89
1,3-propanediol	174.22
bromobenzene	855.47
dibromomethane	869.11
1,1,2,2-tetrachloroethane	1121.38
2-methyl-cyclohexyl acetate	559.73
tetrabutyl urea	330.34
diisobutyl methanol	392.96
2-phenylethanol	460.53
styrene	387.26
dioctyl adipate	382.74
dimethyl sulfate	335.8
ethyl butyrate	599.3
methyl lactate	227.5
butyl lactate	339.46
diethyl carbonate	359.36
propanediol butyl ether	352.36
triethyl orthoformate	444.02
p-tert-butyltoluene	426.34
methyl 4-tert-butylbenzoate	453.26
morpholine	869.42
tert-butylamine	369.28
n-dodecanol	204.37
dimethoxymethane	446.79
ethylene carbonate	477.24
cyrene	378.72
2-ethoxyethyl acetate	451.07
2-ethylhexyl acetate	723.96
1,2,4-trichlorobenzene	728.29
4-methylpyridine	866.44
dibutyl ether	618.07
2,6-dimethyl-4-heptanol	392.96
DEF	585.52
dimethyl isosorbide	770.37
tetrachloroethylene	719.51
eugenol	365.19
triacetin	463.16
span 80	455.93
1,4-butanediol	88.1
1,1-dichloroethane	853.77
2-methyl-1-pentanol	242.16
methyl formate	203.67
2-methyl-1-butanol	317.85
n-decane	183.16
butyronitrile	470.1
3,7-dimethyl-1-octanol	387.39
1-chlorooctane	436.23
1-chlorotetradecane	196.12
n-nonane	212.42
undecane	134.0
tert-butylcyclohexane	220.36
cyclooctane	328.62
cyclopentanol	626.78
tetrahydropyran	1297.62
tert-amyl methyl ether	560.04
2,5,8-trioxanonane	559.76
1-hexene	475.44
2-isopropoxyethanol	251.33
2,2,2-trifluoroethanol	86.37
methyl butyrate	449.23

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