Molecular formula
C7H14OS

SMILES
CCC(C)C(=S)OCC

Fragrance
Fruity	95.74%
Tropical	80.9%
Sulfurous	79.16%
Cheesy	69.12%
Ripe	46.4%
Pineapple	41.45%
Vegetable	37.44%
Dairy	31.39%
Grape	30.01%
Sweet	27.05%

 

Flavor
Fruity	89.25%
Sweet	58.59%
Green	57.06%
Pineapple	50.82%
Tropical	47.82%
Apple	47.81%
Berry	44.07%
Fruit	32.0%
Ripe	31.24%
Banana	28.97%

 

Odor impact est.
Low

XLogP3-AA
2.5

pKa est.
10.43 (weak base)

Molecular weight
146.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
182°C

Flash point

• 36.79 ˚C est.

• SCHEMBL11670296

O-ethyl 2-methylbutanethioate may be used as a fragrance/odorant component in perfumery and cosmetics, leveraging sulfur-containing notes; it is commonly evaluated as an intermediate in organic synthesis, enabling thiocarbonyl-based transformations and acyl-transfer chemistry; it can serve as a specialty chemical precursor in the synthesis of sulfur-containing pharmaceuticals or agrochemicals; it may be used as a reactive intermediate or processing aid in polymer and coating formulations; and it is sometimes explored as a precursor in flavor or fragrance formulations, subject to regulatory and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	571.49
methanol	661.97
isopropanol	539.46
water	1.56
ethyl acetate	830.38
n-propanol	531.61
acetone	1351.1
n-butanol	541.92
acetonitrile	1243.42
DMF	1232.65
toluene	702.29
isobutanol	458.75
1,4-dioxane	1534.54
methyl acetate	1005.55
THF	1857.02
2-butanone	1109.72
n-pentanol	503.59
sec-butanol	571.24
n-hexane	215.03
ethylene glycol	138.86
NMP	1536.47
cyclohexane	456.18
DMSO	1388.91
n-butyl acetate	1123.16
n-octanol	491.37
chloroform	3486.97
n-propyl acetate	780.59
acetic acid	829.94
dichloromethane	3309.48
cyclohexanone	1853.05
propylene glycol	175.11
isopropyl acetate	510.92
DMAc	1109.12
2-ethoxyethanol	601.97
isopentanol	479.47
n-heptane	259.55
ethyl formate	657.01
1,2-dichloroethane	1699.0
n-hexanol	629.49
2-methoxyethanol	722.77
isobutyl acetate	488.75
tetrachloromethane	870.72
n-pentyl acetate	693.26
transcutol	1563.46
n-heptanol	362.04
ethylbenzene	455.07
MIBK	477.62
2-propoxyethanol	794.15
tert-butanol	686.09
MTBE	722.34
2-butoxyethanol	528.56
propionic acid	573.67
o-xylene	531.36
formic acid	171.0
diethyl ether	783.74
m-xylene	482.07
p-xylene	688.98
chlorobenzene	1222.19
dimethyl carbonate	280.43
n-octane	119.6
formamide	277.56
cyclopentanone	1852.4
2-pentanone	799.94
anisole	800.89
cyclopentyl methyl ether	851.58
gamma-butyrolactone	1789.77
1-methoxy-2-propanol	571.14
pyridine	1487.36
3-pentanone	743.23
furfural	1711.64
n-dodecane	104.49
diethylene glycol	502.21
diisopropyl ether	286.71
tert-amyl alcohol	648.47
acetylacetone	923.71
n-hexadecane	120.61
acetophenone	837.24
methyl propionate	616.57
isopentyl acetate	846.44
trichloroethylene	3416.7
n-nonanol	412.69
cyclohexanol	767.05
benzyl alcohol	591.34
2-ethylhexanol	521.83
isooctanol	324.92
dipropyl ether	681.72
1,2-dichlorobenzene	1181.89
ethyl lactate	307.87
propylene carbonate	1034.9
n-methylformamide	564.17
2-pentanol	417.03
n-pentane	188.28
1-propoxy-2-propanol	660.5
1-methoxy-2-propyl acetate	709.24
2-(2-methoxypropoxy) propanol	540.3
mesitylene	367.18
ε-caprolactone	1381.8
p-cymene	423.85
epichlorohydrin	1797.98
1,1,1-trichloroethane	2127.69
2-aminoethanol	241.47
morpholine-4-carbaldehyde	1448.0
sulfolane	1971.93
2,2,4-trimethylpentane	119.5
2-methyltetrahydrofuran	1524.67
n-hexyl acetate	945.77
isooctane	89.24
2-(2-butoxyethoxy)ethanol	692.19
sec-butyl acetate	480.68
tert-butyl acetate	600.73
decalin	208.46
glycerin	238.43
diglyme	1391.89
acrylic acid	547.65
isopropyl myristate	411.6
n-butyric acid	723.11
acetyl acetate	607.87
di(2-ethylhexyl) phthalate	335.72
ethyl propionate	593.11
nitromethane	1554.83
1,2-diethoxyethane	913.84
benzonitrile	1191.53
trioctyl phosphate	270.94
1-bromopropane	1133.54
gamma-valerolactone	1862.98
n-decanol	314.5
triethyl phosphate	373.07
4-methyl-2-pentanol	255.83
propionitrile	860.05
vinylene carbonate	1061.04
1,1,2-trichlorotrifluoroethane	1141.53
DMS	621.64
cumene	336.6
2-octanol	350.9
2-hexanone	834.8
octyl acetate	489.82
limonene	639.95
1,2-dimethoxyethane	1382.89
ethyl orthosilicate	352.1
tributyl phosphate	351.75
diacetone alcohol	527.76
N,N-dimethylaniline	529.82
acrylonitrile	1059.72
aniline	643.39
1,3-propanediol	372.77
bromobenzene	1448.88
dibromomethane	2324.33
1,1,2,2-tetrachloroethane	2437.24
2-methyl-cyclohexyl acetate	627.68
tetrabutyl urea	446.57
diisobutyl methanol	320.31
2-phenylethanol	608.83
styrene	620.37
dioctyl adipate	548.15
dimethyl sulfate	481.11
ethyl butyrate	838.46
methyl lactate	289.22
butyl lactate	443.31
diethyl carbonate	571.88
propanediol butyl ether	483.14
triethyl orthoformate	534.27
p-tert-butyltoluene	398.54
methyl 4-tert-butylbenzoate	608.8
morpholine	1363.24
tert-butylamine	504.89
n-dodecanol	255.65
dimethoxymethane	679.07
ethylene carbonate	829.0
cyrene	534.89
2-ethoxyethyl acetate	742.35
2-ethylhexyl acetate	724.64
1,2,4-trichlorobenzene	1370.82
4-methylpyridine	1592.83
dibutyl ether	692.19
2,6-dimethyl-4-heptanol	320.31
DEF	896.1
dimethyl isosorbide	946.91
tetrachloroethylene	1679.76
eugenol	587.9
triacetin	781.93
span 80	540.9
1,4-butanediol	236.73
1,1-dichloroethane	1841.44
2-methyl-1-pentanol	465.35
methyl formate	537.29
2-methyl-1-butanol	483.24
n-decane	166.11
butyronitrile	935.2
3,7-dimethyl-1-octanol	454.31
1-chlorooctane	520.33
1-chlorotetradecane	232.53
n-nonane	172.09
undecane	126.19
tert-butylcyclohexane	187.19
cyclooctane	164.96
cyclopentanol	809.66
tetrahydropyran	1446.17
tert-amyl methyl ether	565.84
2,5,8-trioxanonane	921.2
1-hexene	526.12
2-isopropoxyethanol	473.18
2,2,2-trifluoroethanol	261.89
methyl butyrate	866.17

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