Molecular formula
C5H10OS

SMILES
CCC(CS)C=O

Fragrance
Sulfurous	62.65%
Cheesy	54.68%
Meaty	49.11%
Onion	46.52%
Fruity	43.6%
Pungent	43.04%
Savory	39.04%
Roasted	38.82%
Alliaceous	38.77%
Garlic	37.46%

 

Flavor
Sulfurous	45.35%
Onion	44.07%
Roasted	31.81%
Sulfury	30.79%
Vegetable	30.11%
Garlic	28.76%
Tomato	27.0%
Fishy	26.78%
Cooked	26.56%
Cabbage	25.18%

 

Odor impact est.
High

XLogP3-AA
0.9

pKa est.
6.77 (neutral)

Molecular weight
118.2 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
179°C

Flash point

• 56.64 ˚C est.

• 3-Mercapto-2-ethylpropanal
• FTNPNLVUSQKWBD-UHFFFAOYSA-N

3-Mercapto-2-ethylpropanal is primarily used as a fragrance/odorant ingredient and fragrance precursor in the fragrance and flavor industries; it also serves as a useful intermediate in organic synthesis for accessing sulfur-containing derivatives via thiol-ene and related chemistry; in polymer, coatings and inks applications it can function as a building block or crosslinking precursor for sulfur-containing monomers; it is used as an industrial intermediate to enable functionalization of aldehyde/thiol motifs; use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	318.6
methanol	569.94
isopropanol	156.87
water	4.89
ethyl acetate	144.5
n-propanol	182.25
acetone	285.51
n-butanol	163.88
acetonitrile	174.85
DMF	246.79
toluene	32.55
isobutanol	112.04
1,4-dioxane	333.89
methyl acetate	157.32
THF	442.68
2-butanone	170.96
n-pentanol	134.93
sec-butanol	103.63
n-hexane	11.63
ethylene glycol	103.43
NMP	360.86
cyclohexane	19.97
DMSO	487.16
n-butyl acetate	208.2
n-octanol	66.88
chloroform	359.14
n-propyl acetate	132.07
acetic acid	561.45
dichloromethane	316.46
cyclohexanone	317.35
propylene glycol	73.09
isopropyl acetate	80.05
DMAc	136.11
2-ethoxyethanol	183.61
isopentanol	124.32
n-heptane	12.19
ethyl formate	133.69
1,2-dichloroethane	202.3
n-hexanol	158.15
2-methoxyethanol	275.33
isobutyl acetate	87.1
tetrachloromethane	72.97
n-pentyl acetate	112.08
transcutol	853.04
n-heptanol	66.75
ethylbenzene	27.17
MIBK	86.1
2-propoxyethanol	235.55
tert-butanol	154.33
MTBE	81.84
2-butoxyethanol	140.37
propionic acid	219.57
o-xylene	31.18
formic acid	267.22
diethyl ether	97.17
m-xylene	31.08
p-xylene	41.82
chlorobenzene	127.58
dimethyl carbonate	32.69
n-octane	5.56
formamide	264.79
cyclopentanone	370.55
2-pentanone	136.68
anisole	80.09
cyclopentyl methyl ether	137.92
gamma-butyrolactone	466.6
1-methoxy-2-propanol	150.77
pyridine	225.79
3-pentanone	80.42
furfural	423.09
n-dodecane	5.19
diethylene glycol	236.15
diisopropyl ether	30.15
tert-amyl alcohol	109.66
acetylacetone	175.95
n-hexadecane	5.86
acetophenone	100.0
methyl propionate	91.44
isopentyl acetate	163.09
trichloroethylene	463.52
n-nonanol	58.84
cyclohexanol	136.61
benzyl alcohol	89.8
2-ethylhexanol	88.49
isooctanol	57.28
dipropyl ether	71.47
1,2-dichlorobenzene	120.29
ethyl lactate	62.41
propylene carbonate	218.92
n-methylformamide	194.83
2-pentanol	82.15
n-pentane	9.74
1-propoxy-2-propanol	166.42
1-methoxy-2-propyl acetate	154.22
2-(2-methoxypropoxy) propanol	145.35
mesitylene	25.29
ε-caprolactone	267.55
p-cymene	35.53
epichlorohydrin	341.16
1,1,1-trichloroethane	186.53
2-aminoethanol	154.75
morpholine-4-carbaldehyde	311.77
sulfolane	496.77
2,2,4-trimethylpentane	7.27
2-methyltetrahydrofuran	297.65
n-hexyl acetate	136.11
isooctane	6.49
2-(2-butoxyethoxy)ethanol	212.67
sec-butyl acetate	77.47
tert-butyl acetate	98.03
decalin	11.19
glycerin	121.75
diglyme	345.61
acrylic acid	229.74
isopropyl myristate	52.21
n-butyric acid	239.05
acetyl acetate	110.71
di(2-ethylhexyl) phthalate	66.93
ethyl propionate	78.26
nitromethane	514.5
1,2-diethoxyethane	202.92
benzonitrile	145.19
trioctyl phosphate	47.93
1-bromopropane	91.83
gamma-valerolactone	432.82
n-decanol	43.72
triethyl phosphate	53.39
4-methyl-2-pentanol	53.23
propionitrile	115.65
vinylene carbonate	207.28
1,1,2-trichlorotrifluoroethane	289.73
DMS	102.85
cumene	26.67
2-octanol	46.11
2-hexanone	139.98
octyl acetate	68.17
limonene	55.1
1,2-dimethoxyethane	243.87
ethyl orthosilicate	50.84
tributyl phosphate	60.73
diacetone alcohol	130.38
N,N-dimethylaniline	53.49
acrylonitrile	165.93
aniline	89.97
1,3-propanediol	190.42
bromobenzene	102.48
dibromomethane	206.94
1,1,2,2-tetrachloroethane	294.12
2-methyl-cyclohexyl acetate	106.09
tetrabutyl urea	73.13
diisobutyl methanol	52.68
2-phenylethanol	117.49
styrene	37.5
dioctyl adipate	87.61
dimethyl sulfate	72.15
ethyl butyrate	112.92
methyl lactate	65.01
butyl lactate	98.85
diethyl carbonate	70.34
propanediol butyl ether	143.45
triethyl orthoformate	75.93
p-tert-butyltoluene	32.43
methyl 4-tert-butylbenzoate	97.48
morpholine	313.3
tert-butylamine	91.46
n-dodecanol	34.13
dimethoxymethane	109.84
ethylene carbonate	153.18
cyrene	138.37
2-ethoxyethyl acetate	159.18
2-ethylhexyl acetate	122.9
1,2,4-trichlorobenzene	157.24
4-methylpyridine	178.83
dibutyl ether	76.4
2,6-dimethyl-4-heptanol	52.68
DEF	127.5
dimethyl isosorbide	242.5
tetrachloroethylene	249.8
eugenol	120.06
triacetin	141.6
span 80	149.83
1,4-butanediol	92.69
1,1-dichloroethane	171.94
2-methyl-1-pentanol	105.73
methyl formate	147.28
2-methyl-1-butanol	105.36
n-decane	8.43
butyronitrile	131.53
3,7-dimethyl-1-octanol	71.31
1-chlorooctane	40.38
1-chlorotetradecane	16.21
n-nonane	7.9
undecane	6.38
tert-butylcyclohexane	11.83
cyclooctane	5.5
cyclopentanol	171.34
tetrahydropyran	251.45
tert-amyl methyl ether	58.43
2,5,8-trioxanonane	240.93
1-hexene	46.71
2-isopropoxyethanol	125.01
2,2,2-trifluoroethanol	159.21
methyl butyrate	124.24

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