Molecular formula
C7H14O2S

SMILES
CCCCOC(=O)C(C)S

Fragrance
Fruity	88.47%
Sulfurous	75.53%
Tropical	74.74%
Meaty	56.99%
Roasted	43.56%
Green	43.45%
Black currant	40.45%
Savory	37.96%
Onion	37.55%
Cheesy	35.85%

 

Flavor
Fruity	76.45%
Tropical	34.96%
Berry	34.95%
Cheese	30.73%
Sweet	29.55%
Pineapple	28.74%
Creamy	25.59%
Fatty	24.98%
Sulfury	24.92%
Grape	24.57%

 

Odor impact est.
High

XLogP3-AA
2.1

pKa est.
7.55 (neutral)

Molecular weight
162.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
201°C

Flash point

• 65.66 ˚C est.

• SCHEMBL2134226

Butyl 2-sulfanylpropanoate is commonly used as a fragrance ingredient in perfumery and cosmetics, providing a subtle sulfur-containing note; it also serves as a precursor for flavor compounds in food processing in selected formulations; as an industrial intermediate, it enables incorporation of the thiol (sulfhydryl) functionality into polymers and plastics, supporting crosslinking and material performance; in coatings, inks, and adhesives, it can act as a thiol-containing precursor to tailor adhesion, film formation, and chemical reactivity; together, these applications reflect its role as a specialized ester with sulfur functionality in consumer and industrial formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2349.54
methanol	3572.54
isopropanol	1827.17
water	9.9
ethyl acetate	740.39
n-propanol	1546.59
acetone	2036.67
n-butanol	1413.08
acetonitrile	1402.83
DMF	1861.29
toluene	387.85
isobutanol	1196.61
1,4-dioxane	1756.7
methyl acetate	1014.05
THF	1718.02
2-butanone	1252.6
n-pentanol	1124.99
sec-butanol	1465.63
n-hexane	124.24
ethylene glycol	456.72
NMP	1395.29
cyclohexane	212.13
DMSO	1652.74
n-butyl acetate	778.63
n-octanol	443.99
chloroform	2707.25
n-propyl acetate	727.54
acetic acid	3180.91
dichloromethane	1835.09
cyclohexanone	1502.97
propylene glycol	503.81
isopropyl acetate	499.04
DMAc	1436.24
2-ethoxyethanol	1303.7
isopentanol	1149.46
n-heptane	57.56
ethyl formate	784.44
1,2-dichloroethane	1077.78
n-hexanol	795.25
2-methoxyethanol	1882.89
isobutyl acetate	449.66
tetrachloromethane	389.15
n-pentyl acetate	527.77
transcutol	2460.06
n-heptanol	393.03
ethylbenzene	289.32
MIBK	538.06
2-propoxyethanol	1052.79
tert-butanol	1837.93
MTBE	1137.68
2-butoxyethanol	652.45
propionic acid	1151.84
o-xylene	286.66
formic acid	1070.21
diethyl ether	807.84
m-xylene	265.18
p-xylene	482.2
chlorobenzene	656.02
dimethyl carbonate	219.73
n-octane	35.5
formamide	1180.84
cyclopentanone	1429.38
2-pentanone	888.24
anisole	564.6
cyclopentyl methyl ether	691.99
gamma-butyrolactone	1479.23
1-methoxy-2-propanol	1070.26
pyridine	1414.64
3-pentanone	541.77
furfural	1415.86
n-dodecane	32.1
diethylene glycol	825.25
diisopropyl ether	232.47
tert-amyl alcohol	1441.41
acetylacetone	840.61
n-hexadecane	36.23
acetophenone	635.66
methyl propionate	512.78
isopentyl acetate	669.35
trichloroethylene	2354.82
n-nonanol	336.36
cyclohexanol	1113.81
benzyl alcohol	657.55
2-ethylhexanol	421.77
isooctanol	306.05
dipropyl ether	309.1
1,2-dichlorobenzene	544.17
ethyl lactate	281.57
propylene carbonate	777.48
n-methylformamide	1136.13
2-pentanol	906.66
n-pentane	108.71
1-propoxy-2-propanol	670.98
1-methoxy-2-propyl acetate	484.69
2-(2-methoxypropoxy) propanol	489.15
mesitylene	177.72
ε-caprolactone	1208.43
p-cymene	165.95
epichlorohydrin	1402.82
1,1,1-trichloroethane	1173.24
2-aminoethanol	823.04
morpholine-4-carbaldehyde	1425.07
sulfolane	1337.97
2,2,4-trimethylpentane	72.83
2-methyltetrahydrofuran	1402.05
n-hexyl acetate	712.64
isooctane	49.67
2-(2-butoxyethoxy)ethanol	725.37
sec-butyl acetate	431.79
tert-butyl acetate	556.17
decalin	90.41
glycerin	617.18
diglyme	1365.82
acrylic acid	1126.03
isopropyl myristate	205.52
n-butyric acid	1445.03
acetyl acetate	541.53
di(2-ethylhexyl) phthalate	229.06
ethyl propionate	424.49
nitromethane	2855.54
1,2-diethoxyethane	734.36
benzonitrile	849.26
trioctyl phosphate	167.79
1-bromopropane	724.09
gamma-valerolactone	1742.12
n-decanol	221.41
triethyl phosphate	191.21
4-methyl-2-pentanol	426.2
propionitrile	903.16
vinylene carbonate	824.04
1,1,2-trichlorotrifluoroethane	1234.34
DMS	412.54
cumene	195.48
2-octanol	325.28
2-hexanone	881.34
octyl acetate	281.55
limonene	255.75
1,2-dimethoxyethane	1809.6
ethyl orthosilicate	198.6
tributyl phosphate	213.51
diacetone alcohol	651.75
N,N-dimethylaniline	388.01
acrylonitrile	1117.59
aniline	591.93
1,3-propanediol	1202.3
bromobenzene	616.05
dibromomethane	1320.85
1,1,2,2-tetrachloroethane	1792.06
2-methyl-cyclohexyl acetate	364.69
tetrabutyl urea	262.88
diisobutyl methanol	229.91
2-phenylethanol	516.84
styrene	394.27
dioctyl adipate	295.46
dimethyl sulfate	335.91
ethyl butyrate	410.92
methyl lactate	305.91
butyl lactate	393.8
diethyl carbonate	279.16
propanediol butyl ether	728.62
triethyl orthoformate	281.72
p-tert-butyltoluene	155.24
methyl 4-tert-butylbenzoate	397.55
morpholine	1962.51
tert-butylamine	1088.82
n-dodecanol	161.01
dimethoxymethane	727.41
ethylene carbonate	666.74
cyrene	477.03
2-ethoxyethyl acetate	596.05
2-ethylhexyl acetate	481.81
1,2,4-trichlorobenzene	692.61
4-methylpyridine	1414.02
dibutyl ether	406.25
2,6-dimethyl-4-heptanol	229.91
DEF	920.35
dimethyl isosorbide	626.47
tetrachloroethylene	1328.74
eugenol	466.75
triacetin	547.21
span 80	483.56
1,4-butanediol	592.74
1,1-dichloroethane	1352.61
2-methyl-1-pentanol	957.94
methyl formate	884.38
2-methyl-1-butanol	1101.31
n-decane	56.83
butyronitrile	1131.5
3,7-dimethyl-1-octanol	363.58
1-chlorooctane	229.99
1-chlorotetradecane	82.15
n-nonane	56.69
undecane	40.95
tert-butylcyclohexane	86.38
cyclooctane	47.88
cyclopentanol	1091.21
tetrahydropyran	1526.99
tert-amyl methyl ether	701.22
2,5,8-trioxanonane	763.35
1-hexene	531.42
2-isopropoxyethanol	837.21
2,2,2-trifluoroethanol	712.19
methyl butyrate	760.28

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