Molecular formula
C8H14OS

SMILES
CCCCOC(=S)C(=C)C

Fragrance
Fruity	91.97%
Sulfurous	56.34%
Tropical	52.9%
Grape	43.22%
Sweet	40.57%
Cheesy	37.42%
Pineapple	35.66%
Plum	27.12%
Herbal	26.35%
Ripe	26.0%

 

Flavor
Fruity	59.53%
Spicy	33.39%
Berry	31.75%
Earthy	29.36%
Nutty	28.4%
Caramel	27.77%
Woody	27.75%
Floral	26.16%
Mushroom	25.68%
Green	25.41%

 

Odor impact est.
Low

XLogP3-AA
2.9

pKa est.
10.21 (weak base)

Molecular weight
158.26 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
217°C

Flash point

• 48.45 ˚C est.

• SCHEMBL6392989

O-butyl 2-methylprop-2-enethioate is primarily used as an organic synthesis intermediate for sulfur-containing esters and related compounds. In industrial manufacturing, it can serve as a reactive solvent or processing aid in coatings, inks, and adhesives formulations. It can also act as a plasticizer or co-solvent in polymer systems, helping adjust viscosity and film formation. In cosmetics and perfumery, it may function as a fragrance ingredient or fixative component, contributing to scent profiles within regulated formulation limits. Additionally, it may be considered as a precursor for the synthesis of specialty esters used in various industrial applications, subject to local regulations and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	780.21
methanol	754.21
isopropanol	686.01
water	0.51
ethyl acetate	902.54
n-propanol	661.44
acetone	1359.9
n-butanol	807.22
acetonitrile	1109.12
DMF	1026.98
toluene	752.32
isobutanol	592.26
1,4-dioxane	1792.93
methyl acetate	939.79
THF	1930.96
2-butanone	1243.78
n-pentanol	704.79
sec-butanol	772.78
n-hexane	287.86
ethylene glycol	84.44
NMP	1073.06
cyclohexane	589.61
DMSO	1131.23
n-butyl acetate	1507.35
n-octanol	508.16
chloroform	3186.98
n-propyl acetate	967.39
acetic acid	1134.41
dichloromethane	2462.77
cyclohexanone	1792.98
propylene glycol	138.13
isopropyl acetate	578.29
DMAc	1026.91
2-ethoxyethanol	777.42
isopentanol	776.35
n-heptane	249.51
ethyl formate	639.72
1,2-dichloroethane	1463.34
n-hexanol	872.79
2-methoxyethanol	832.32
isobutyl acetate	572.29
tetrachloromethane	655.21
n-pentyl acetate	759.2
transcutol	2596.57
n-heptanol	385.97
ethylbenzene	556.7
MIBK	570.25
2-propoxyethanol	929.79
tert-butanol	974.6
MTBE	1146.6
2-butoxyethanol	573.47
propionic acid	558.43
o-xylene	502.11
formic acid	184.88
diethyl ether	1067.91
m-xylene	479.3
p-xylene	802.59
chlorobenzene	1081.19
dimethyl carbonate	211.45
n-octane	105.63
formamide	289.98
cyclopentanone	1481.44
2-pentanone	925.31
anisole	874.67
cyclopentyl methyl ether	872.29
gamma-butyrolactone	1346.66
1-methoxy-2-propanol	592.07
pyridine	1683.19
3-pentanone	713.87
furfural	1429.98
n-dodecane	80.23
diethylene glycol	509.71
diisopropyl ether	357.01
tert-amyl alcohol	951.77
acetylacetone	852.67
n-hexadecane	92.7
acetophenone	861.26
methyl propionate	533.82
isopentyl acetate	1147.97
trichloroethylene	3121.46
n-nonanol	439.92
cyclohexanol	916.28
benzyl alcohol	630.44
2-ethylhexanol	655.34
isooctanol	353.83
dipropyl ether	755.5
1,2-dichlorobenzene	936.77
ethyl lactate	275.74
propylene carbonate	849.39
n-methylformamide	478.24
2-pentanol	608.37
n-pentane	223.91
1-propoxy-2-propanol	799.86
1-methoxy-2-propyl acetate	800.86
2-(2-methoxypropoxy) propanol	624.44
mesitylene	339.63
ε-caprolactone	1357.76
p-cymene	391.51
epichlorohydrin	1605.83
1,1,1-trichloroethane	1967.52
2-aminoethanol	206.62
morpholine-4-carbaldehyde	1244.02
sulfolane	1351.53
2,2,4-trimethylpentane	128.86
2-methyltetrahydrofuran	1728.45
n-hexyl acetate	985.93
isooctane	99.05
2-(2-butoxyethoxy)ethanol	848.89
sec-butyl acetate	606.85
tert-butyl acetate	692.96
decalin	221.01
glycerin	190.94
diglyme	1630.29
acrylic acid	478.39
isopropyl myristate	388.18
n-butyric acid	903.14
acetyl acetate	675.76
di(2-ethylhexyl) phthalate	326.63
ethyl propionate	613.7
nitromethane	1517.59
1,2-diethoxyethane	1357.97
benzonitrile	1144.48
trioctyl phosphate	243.39
1-bromopropane	1126.94
gamma-valerolactone	1678.69
n-decanol	315.65
triethyl phosphate	360.76
4-methyl-2-pentanol	370.15
propionitrile	792.79
vinylene carbonate	824.19
1,1,2-trichlorotrifluoroethane	964.27
DMS	539.97
cumene	359.63
2-octanol	365.47
2-hexanone	1048.74
octyl acetate	473.02
limonene	618.42
1,2-dimethoxyethane	1669.67
ethyl orthosilicate	382.37
tributyl phosphate	344.42
diacetone alcohol	612.13
N,N-dimethylaniline	566.59
acrylonitrile	885.87
aniline	640.55
1,3-propanediol	428.63
bromobenzene	1265.48
dibromomethane	1874.93
1,1,2,2-tetrachloroethane	2300.94
2-methyl-cyclohexyl acetate	692.82
tetrabutyl urea	416.26
diisobutyl methanol	390.4
2-phenylethanol	690.45
styrene	721.6
dioctyl adipate	517.58
dimethyl sulfate	317.28
ethyl butyrate	876.76
methyl lactate	229.59
butyl lactate	454.64
diethyl carbonate	578.33
propanediol butyl ether	549.76
triethyl orthoformate	575.48
p-tert-butyltoluene	367.18
methyl 4-tert-butylbenzoate	565.47
morpholine	1727.34
tert-butylamine	726.79
n-dodecanol	245.52
dimethoxymethane	591.88
ethylene carbonate	664.84
cyrene	526.25
2-ethoxyethyl acetate	795.49
2-ethylhexyl acetate	964.52
1,2,4-trichlorobenzene	1106.2
4-methylpyridine	1702.53
dibutyl ether	836.56
2,6-dimethyl-4-heptanol	390.4
DEF	950.2
dimethyl isosorbide	984.5
tetrachloroethylene	1488.47
eugenol	580.83
triacetin	737.51
span 80	607.24
1,4-butanediol	235.0
1,1-dichloroethane	1716.41
2-methyl-1-pentanol	737.91
methyl formate	409.81
2-methyl-1-butanol	727.35
n-decane	139.99
butyronitrile	1060.67
3,7-dimethyl-1-octanol	503.34
1-chlorooctane	459.28
1-chlorotetradecane	190.86
n-nonane	145.24
undecane	100.87
tert-butylcyclohexane	191.82
cyclooctane	168.63
cyclopentanol	754.7
tetrahydropyran	1987.45
tert-amyl methyl ether	818.08
2,5,8-trioxanonane	1065.67
1-hexene	818.26
2-isopropoxyethanol	615.84
2,2,2-trifluoroethanol	263.15
methyl butyrate	959.56

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