Molecular formula
C8H16OS

SMILES
CCCCOC(=S)C(C)C

Fragrance
Fruity	92.35%
Tropical	74.47%
Sulfurous	74.33%
Cheesy	65.14%
Ripe	42.71%
Pineapple	34.88%
Vegetable	31.77%
Dairy	30.13%
Grape	30.03%
Fermented	29.39%

 

Flavor
Fruity	85.64%
Green	58.29%
Tropical	52.27%
Sweet	51.88%
Pineapple	49.75%
Apple	46.87%
Berry	40.22%
Ripe	33.76%
Pear	28.72%
Banana	28.19%

 

Odor impact est.
Low

XLogP3-AA
3.0

pKa est.
10.57 (weak base)

Molecular weight
160.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
200°C

Flash point

• 49.23 ˚C est.

O-butyl 2-methylpropanethioate can be used as an intermediate in organic synthesis, enabling acyl-transfer steps to access sulfur-containing esters; it may function as a solvent or processing aid in coatings, inks, and adhesives; it is occasionally evaluated as a fragrance or odor-active component in perfumery and personal care formulations; it can serve as a reactive intermediate in polymer and plastics chemistry; and it is encountered as a specialty reagent in pharmaceutical and agrochemical research, subject to applicable regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1101.55
methanol	1061.63
isopropanol	1064.74
water	0.84
ethyl acetate	1304.31
n-propanol	992.55
acetone	2014.42
n-butanol	1165.8
acetonitrile	1786.34
DMF	1360.17
toluene	1226.63
isobutanol	915.74
1,4-dioxane	2498.64
methyl acetate	1312.5
THF	2785.16
2-butanone	1740.29
n-pentanol	995.16
sec-butanol	1164.48
n-hexane	542.91
ethylene glycol	118.22
NMP	1663.93
cyclohexane	1150.17
DMSO	1470.81
n-butyl acetate	2182.17
n-octanol	814.76
chloroform	6228.7
n-propyl acetate	1356.57
acetic acid	1502.19
dichloromethane	4338.57
cyclohexanone	2927.59
propylene glycol	211.34
isopropyl acetate	855.22
DMAc	1319.8
2-ethoxyethanol	980.62
isopentanol	1131.11
n-heptane	480.29
ethyl formate	958.55
1,2-dichloroethane	2324.39
n-hexanol	1308.87
2-methoxyethanol	1072.78
isobutyl acetate	861.91
tetrachloromethane	1407.27
n-pentyl acetate	1216.08
transcutol	3001.28
n-heptanol	666.54
ethylbenzene	851.28
MIBK	823.58
2-propoxyethanol	1242.01
tert-butanol	1437.73
MTBE	1577.81
2-butoxyethanol	913.84
propionic acid	878.24
o-xylene	785.49
formic acid	253.85
diethyl ether	1500.35
m-xylene	747.66
p-xylene	1310.71
chlorobenzene	1938.48
dimethyl carbonate	295.87
n-octane	207.05
formamide	378.53
cyclopentanone	2438.9
2-pentanone	1324.0
anisole	1202.42
cyclopentyl methyl ether	1386.66
gamma-butyrolactone	2176.19
1-methoxy-2-propanol	779.44
pyridine	2690.34
3-pentanone	1042.02
furfural	2230.58
n-dodecane	141.11
diethylene glycol	621.75
diisopropyl ether	543.48
tert-amyl alcohol	1342.8
acetylacetone	1194.45
n-hexadecane	164.02
acetophenone	1247.13
methyl propionate	761.4
isopentyl acetate	1683.73
trichloroethylene	5113.22
n-nonanol	700.84
cyclohexanol	1530.1
benzyl alcohol	952.35
2-ethylhexanol	1007.54
isooctanol	588.78
dipropyl ether	1156.02
1,2-dichlorobenzene	1643.3
ethyl lactate	378.01
propylene carbonate	1360.82
n-methylformamide	675.62
2-pentanol	891.59
n-pentane	410.34
1-propoxy-2-propanol	1129.6
1-methoxy-2-propyl acetate	1034.77
2-(2-methoxypropoxy) propanol	813.05
mesitylene	527.53
ε-caprolactone	2157.08
p-cymene	623.85
epichlorohydrin	2405.16
1,1,1-trichloroethane	3410.3
2-aminoethanol	296.8
morpholine-4-carbaldehyde	1695.97
sulfolane	2239.74
2,2,4-trimethylpentane	222.68
2-methyltetrahydrofuran	2608.78
n-hexyl acetate	1538.33
isooctane	164.33
2-(2-butoxyethoxy)ethanol	1079.82
sec-butyl acetate	889.28
tert-butyl acetate	973.79
decalin	386.4
glycerin	262.1
diglyme	2113.63
acrylic acid	758.97
isopropyl myristate	609.72
n-butyric acid	1439.0
acetyl acetate	968.29
di(2-ethylhexyl) phthalate	490.78
ethyl propionate	905.94
nitromethane	2070.0
1,2-diethoxyethane	1731.95
benzonitrile	1977.93
trioctyl phosphate	369.39
1-bromopropane	1880.23
gamma-valerolactone	2565.25
n-decanol	488.5
triethyl phosphate	520.66
4-methyl-2-pentanol	534.98
propionitrile	1353.27
vinylene carbonate	1324.92
1,1,2-trichlorotrifluoroethane	1551.89
DMS	750.15
cumene	542.08
2-octanol	616.4
2-hexanone	1578.49
octyl acetate	742.03
limonene	990.1
1,2-dimethoxyethane	2109.16
ethyl orthosilicate	543.97
tributyl phosphate	510.86
diacetone alcohol	805.18
N,N-dimethylaniline	762.39
acrylonitrile	1480.61
aniline	1062.5
1,3-propanediol	602.72
bromobenzene	2277.78
dibromomethane	3352.68
1,1,2,2-tetrachloroethane	3944.92
2-methyl-cyclohexyl acetate	1013.3
tetrabutyl urea	608.7
diisobutyl methanol	585.94
2-phenylethanol	982.6
styrene	1151.4
dioctyl adipate	797.35
dimethyl sulfate	452.68
ethyl butyrate	1273.38
methyl lactate	317.87
butyl lactate	695.52
diethyl carbonate	876.65
propanediol butyl ether	780.55
triethyl orthoformate	868.96
p-tert-butyltoluene	584.91
methyl 4-tert-butylbenzoate	835.48
morpholine	2435.66
tert-butylamine	1139.46
n-dodecanol	372.5
dimethoxymethane	755.53
ethylene carbonate	1104.08
cyrene	683.52
2-ethoxyethyl acetate	1149.49
2-ethylhexyl acetate	1442.01
1,2,4-trichlorobenzene	1915.22
4-methylpyridine	2786.25
dibutyl ether	1298.44
2,6-dimethyl-4-heptanol	585.94
DEF	1253.54
dimethyl isosorbide	1321.1
tetrachloroethylene	2732.84
eugenol	808.51
triacetin	1112.72
span 80	886.1
1,4-butanediol	318.6
1,1-dichloroethane	2915.87
2-methyl-1-pentanol	999.62
methyl formate	580.83
2-methyl-1-butanol	1036.55
n-decane	263.5
butyronitrile	1808.37
3,7-dimethyl-1-octanol	793.88
1-chlorooctane	802.38
1-chlorotetradecane	312.86
n-nonane	284.9
undecane	182.19
tert-butylcyclohexane	338.56
cyclooctane	341.32
cyclopentanol	1296.85
tetrahydropyran	2927.68
tert-amyl methyl ether	1089.51
2,5,8-trioxanonane	1312.74
1-hexene	1361.97
2-isopropoxyethanol	792.57
2,2,2-trifluoroethanol	404.04
methyl butyrate	1403.42

Scent© AI