Molecular formula
C7H14O2S

SMILES
CCC(CS)C(=O)OCC

Fragrance
Fruity	95.86%
Tropical	75.31%
Sulfurous	63.75%
Sweet	44.9%
Pineapple	42.96%
Grape	40.89%
Ripe	37.14%
Cheesy	37.07%
Berry	28.82%
Meaty	28.72%

 

Flavor
Fruity	80.33%
Berry	36.37%
Pineapple	35.72%
Tropical	35.58%
Grape	31.93%
Cheese	31.51%
Sweet	26.6%
Sulfury	26.32%
Fatty	25.88%
Fruit	25.52%

 

Odor impact est.
High

XLogP3-AA
1.6

pKa est.
6.74 (neutral)

Molecular weight
162.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
202°C

Flash point

• 67.85 ˚C est.

• SCHEMBL6739813
• Ethyl 2-(mercaptomethyl)butanoate
• RUWINAYFAKVVDN-UHFFFAOYSA-N

Ethyl 2-(mercaptomethyl)butanoate is a sulfur-containing fragrance-related compound, commonly used as a thiol-containing odorant and as an intermediate in the synthesis of more complex aroma compounds. In cosmetics and personal care, it may serve as a fragrance ingredient or as an intermediate in scent formulation. In household and cleaning products, it can be used as a fragrance component or odorant precursor to impart or release odor. In coatings and inks, it can function as a fragrance additive or precursor for volatile aroma notes. In industrial manufacturing, it is used as a synthetic intermediate to prepare sulfur-containing esters used in fragrance chemistry. These applications are subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1048.3
methanol	1611.03
isopropanol	809.38
water	7.93
ethyl acetate	472.35
n-propanol	768.4
acetone	1192.4
n-butanol	632.62
acetonitrile	1175.02
DMF	1523.65
toluene	304.43
isobutanol	545.08
1,4-dioxane	1056.48
methyl acetate	668.0
THF	1206.57
2-butanone	738.2
n-pentanol	590.63
sec-butanol	661.8
n-hexane	82.42
ethylene glycol	267.1
NMP	1267.12
cyclohexane	159.57
DMSO	1542.83
n-butyl acetate	479.22
n-octanol	329.77
chloroform	2796.75
n-propyl acetate	463.12
acetic acid	1360.41
dichloromethane	2713.91
cyclohexanone	1134.18
propylene glycol	310.65
isopropyl acetate	292.29
DMAc	962.8
2-ethoxyethanol	674.84
isopentanol	463.83
n-heptane	53.57
ethyl formate	551.0
1,2-dichloroethane	1237.39
n-hexanol	419.36
2-methoxyethanol	948.3
isobutyl acetate	280.31
tetrachloromethane	374.67
n-pentyl acetate	380.94
transcutol	1166.94
n-heptanol	244.64
ethylbenzene	221.28
MIBK	303.4
2-propoxyethanol	580.44
tert-butanol	721.91
MTBE	425.36
2-butoxyethanol	393.93
propionic acid	748.3
o-xylene	221.33
formic acid	448.24
diethyl ether	404.19
m-xylene	203.89
p-xylene	340.46
chlorobenzene	716.28
dimethyl carbonate	190.53
n-octane	33.97
formamide	597.8
cyclopentanone	1259.36
2-pentanone	508.06
anisole	443.38
cyclopentyl methyl ether	425.99
gamma-butyrolactone	1391.1
1-methoxy-2-propanol	599.02
pyridine	1202.15
3-pentanone	377.2
furfural	1332.01
n-dodecane	35.85
diethylene glycol	490.9
diisopropyl ether	123.9
tert-amyl alcohol	566.53
acetylacetone	561.98
n-hexadecane	40.17
acetophenone	502.34
methyl propionate	386.37
isopentyl acetate	369.85
trichloroethylene	2512.95
n-nonanol	265.59
cyclohexanol	611.26
benzyl alcohol	481.53
2-ethylhexanol	249.43
isooctanol	200.87
dipropyl ether	211.82
1,2-dichlorobenzene	641.73
ethyl lactate	235.31
propylene carbonate	711.3
n-methylformamide	853.68
2-pentanol	381.35
n-pentane	77.96
1-propoxy-2-propanol	404.19
1-methoxy-2-propyl acetate	332.71
2-(2-methoxypropoxy) propanol	336.13
mesitylene	145.28
ε-caprolactone	864.99
p-cymene	150.15
epichlorohydrin	1270.69
1,1,1-trichloroethane	1152.79
2-aminoethanol	455.95
morpholine-4-carbaldehyde	1043.32
sulfolane	1526.73
2,2,4-trimethylpentane	43.03
2-methyltetrahydrofuran	830.74
n-hexyl acetate	553.36
isooctane	31.94
2-(2-butoxyethoxy)ethanol	455.65
sec-butyl acetate	260.94
tert-butyl acetate	326.09
decalin	71.59
glycerin	383.97
diglyme	863.97
acrylic acid	775.7
isopropyl myristate	188.8
n-butyric acid	775.98
acetyl acetate	348.56
di(2-ethylhexyl) phthalate	189.3
ethyl propionate	326.77
nitromethane	1796.15
1,2-diethoxyethane	422.86
benzonitrile	793.21
trioctyl phosphate	155.11
1-bromopropane	652.01
gamma-valerolactone	1399.98
n-decanol	187.08
triethyl phosphate	163.69
4-methyl-2-pentanol	203.94
propionitrile	772.07
vinylene carbonate	765.71
1,1,2-trichlorotrifluoroethane	946.02
DMS	330.37
cumene	158.44
2-octanol	227.05
2-hexanone	509.11
octyl acetate	249.72
limonene	217.84
1,2-dimethoxyethane	1020.65
ethyl orthosilicate	149.91
tributyl phosphate	176.67
diacetone alcohol	375.36
N,N-dimethylaniline	291.0
acrylonitrile	1059.0
aniline	439.71
1,3-propanediol	594.63
bromobenzene	760.43
dibromomethane	1643.98
1,1,2,2-tetrachloroethane	1684.98
2-methyl-cyclohexyl acetate	285.0
tetrabutyl urea	243.04
diisobutyl methanol	141.68
2-phenylethanol	360.37
styrene	320.83
dioctyl adipate	261.83
dimethyl sulfate	351.04
ethyl butyrate	323.76
methyl lactate	254.26
butyl lactate	291.4
diethyl carbonate	242.72
propanediol butyl ether	451.36
triethyl orthoformate	206.43
p-tert-butyltoluene	134.72
methyl 4-tert-butylbenzoate	346.14
morpholine	1079.27
tert-butylamine	456.0
n-dodecanol	139.21
dimethoxymethane	546.96
ethylene carbonate	564.38
cyrene	375.52
2-ethoxyethyl acetate	405.52
2-ethylhexyl acetate	279.23
1,2,4-trichlorobenzene	756.62
4-methylpyridine	1051.26
dibutyl ether	290.96
2,6-dimethyl-4-heptanol	141.68
DEF	582.55
dimethyl isosorbide	481.9
tetrachloroethylene	1157.75
eugenol	381.67
triacetin	430.33
span 80	347.88
1,4-butanediol	349.91
1,1-dichloroethane	1276.01
2-methyl-1-pentanol	449.28
methyl formate	705.17
2-methyl-1-butanol	467.79
n-decane	56.0
butyronitrile	759.58
3,7-dimethyl-1-octanol	257.67
1-chlorooctane	223.75
1-chlorotetradecane	87.99
n-nonane	55.97
undecane	43.48
tert-butylcyclohexane	60.49
cyclooctane	40.11
cyclopentanol	697.63
tetrahydropyran	849.65
tert-amyl methyl ether	294.9
2,5,8-trioxanonane	564.14
1-hexene	302.71
2-isopropoxyethanol	419.03
2,2,2-trifluoroethanol	368.03
methyl butyrate	532.33

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