Molecular formula
C8H14O2S

SMILES
CCC(C(=O)C)C(=S)OCC

Fragrance
Fruity	95.63%
Tropical	71.03%
Sulfurous	66.53%
Grape	40.72%
Cheesy	38.76%
Meaty	38.31%
Pineapple	33.9%
Black currant	32.1%
Sweet	31.35%
Berry	30.0%

 

Flavor
Fruity	84.23%
Berry	38.57%
Cheese	33.39%
Tropical	29.86%
Creamy	29.79%
Grape	29.44%
Pineapple	28.87%
Fatty	27.99%
Fruit	27.2%
Buttery	27.03%

 

Odor impact est.
Low

XLogP3-AA
1.9

pKa est.
9.27 (weak base)

Molecular weight
174.26 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
242°C

Flash point

• 69.95 ˚C est.

• SCHEMBL11016179

O-ethyl 2-ethyl-3-oxobutanethioate is primarily used as an intermediate in organic synthesis. As a beta-keto thioester, it can participate in acyl-transfer reactions and carbon–carbon bond-forming processes, enabling the preparation of building blocks and molecular frameworks for pharmaceuticals, agrochemicals, and specialty chemicals. In research and development settings, it is commonly evaluated as a synthetic precursor for the preparation of more complex molecules and functionalized derivatives. It can also be used as a reactive intermediate in polymer and coating formulations, where the thioester functionality can undergo subsequent modifications or cross-linking steps. Its use is subject to local regulations and formulation limits, and it is typically employed under controlled conditions in laboratory-scale production and process development.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	283.94
methanol	446.91
isopropanol	228.8
water	3.62
ethyl acetate	356.77
n-propanol	230.29
acetone	635.62
n-butanol	214.7
acetonitrile	584.98
DMF	1027.77
toluene	268.1
isobutanol	185.69
1,4-dioxane	722.38
methyl acetate	432.22
THF	919.27
2-butanone	398.7
n-pentanol	179.78
sec-butanol	205.54
n-hexane	40.01
ethylene glycol	143.95
NMP	1148.89
cyclohexane	118.43
DMSO	926.28
n-butyl acetate	255.97
n-octanol	138.48
chloroform	1221.6
n-propyl acetate	237.16
acetic acid	532.67
dichloromethane	1297.95
cyclohexanone	778.47
propylene glycol	134.87
isopropyl acetate	211.04
DMAc	824.32
2-ethoxyethanol	279.16
isopentanol	175.84
n-heptane	41.95
ethyl formate	351.05
1,2-dichloroethane	683.6
n-hexanol	203.22
2-methoxyethanol	474.94
isobutyl acetate	153.37
tetrachloromethane	237.02
n-pentyl acetate	186.02
transcutol	645.24
n-heptanol	97.56
ethylbenzene	158.77
MIBK	207.86
2-propoxyethanol	357.04
tert-butanol	278.33
MTBE	219.21
2-butoxyethanol	164.21
propionic acid	279.93
o-xylene	213.69
formic acid	183.37
diethyl ether	249.86
m-xylene	198.49
p-xylene	217.16
chlorobenzene	478.36
dimethyl carbonate	204.55
n-octane	20.91
formamide	254.43
cyclopentanone	872.07
2-pentanone	315.9
anisole	340.11
cyclopentyl methyl ether	386.51
gamma-butyrolactone	1031.3
1-methoxy-2-propanol	344.1
pyridine	611.24
3-pentanone	294.5
furfural	1001.67
n-dodecane	23.2
diethylene glycol	356.38
diisopropyl ether	87.62
tert-amyl alcohol	224.41
acetylacetone	492.98
n-hexadecane	26.39
acetophenone	348.22
methyl propionate	325.07
isopentyl acetate	216.5
trichloroethylene	1362.38
n-nonanol	119.76
cyclohexanol	332.82
benzyl alcohol	287.6
2-ethylhexanol	137.48
isooctanol	84.04
dipropyl ether	160.89
1,2-dichlorobenzene	501.36
ethyl lactate	162.29
propylene carbonate	538.3
n-methylformamide	450.54
2-pentanol	140.16
n-pentane	41.94
1-propoxy-2-propanol	227.19
1-methoxy-2-propyl acetate	286.02
2-(2-methoxypropoxy) propanol	233.05
mesitylene	140.78
ε-caprolactone	598.25
p-cymene	124.16
epichlorohydrin	921.16
1,1,1-trichloroethane	727.51
2-aminoethanol	177.09
morpholine-4-carbaldehyde	932.49
sulfolane	1180.52
2,2,4-trimethylpentane	27.71
2-methyltetrahydrofuran	561.44
n-hexyl acetate	294.69
isooctane	20.81
2-(2-butoxyethoxy)ethanol	265.63
sec-butyl acetate	155.77
tert-butyl acetate	245.42
decalin	61.58
glycerin	213.86
diglyme	515.93
acrylic acid	328.63
isopropyl myristate	132.68
n-butyric acid	319.24
acetyl acetate	337.6
di(2-ethylhexyl) phthalate	150.56
ethyl propionate	234.15
nitromethane	1025.76
1,2-diethoxyethane	251.33
benzonitrile	479.72
trioctyl phosphate	104.2
1-bromopropane	314.32
gamma-valerolactone	1015.29
n-decanol	95.59
triethyl phosphate	145.47
4-methyl-2-pentanol	87.37
propionitrile	352.22
vinylene carbonate	586.92
1,1,2-trichlorotrifluoroethane	626.36
DMS	299.77
cumene	118.64
2-octanol	88.43
2-hexanone	245.45
octyl acetate	165.58
limonene	185.25
1,2-dimethoxyethane	617.32
ethyl orthosilicate	128.45
tributyl phosphate	130.53
diacetone alcohol	270.27
N,N-dimethylaniline	235.0
acrylonitrile	493.14
aniline	289.47
1,3-propanediol	227.15
bromobenzene	511.05
dibromomethane	793.25
1,1,2,2-tetrachloroethane	1001.12
2-methyl-cyclohexyl acetate	224.29
tetrabutyl urea	184.13
diisobutyl methanol	91.08
2-phenylethanol	253.92
styrene	216.86
dioctyl adipate	202.02
dimethyl sulfate	380.44
ethyl butyrate	230.5
methyl lactate	205.11
butyl lactate	152.74
diethyl carbonate	194.77
propanediol butyl ether	192.21
triethyl orthoformate	156.61
p-tert-butyltoluene	115.83
methyl 4-tert-butylbenzoate	270.29
morpholine	619.18
tert-butylamine	176.61
n-dodecanol	79.94
dimethoxymethane	506.57
ethylene carbonate	453.1
cyrene	320.58
2-ethoxyethyl acetate	246.23
2-ethylhexyl acetate	183.75
1,2,4-trichlorobenzene	583.48
4-methylpyridine	616.97
dibutyl ether	157.09
2,6-dimethyl-4-heptanol	91.08
DEF	432.8
dimethyl isosorbide	461.47
tetrachloroethylene	692.38
eugenol	261.83
triacetin	311.12
span 80	217.19
1,4-butanediol	129.9
1,1-dichloroethane	614.57
2-methyl-1-pentanol	160.19
methyl formate	475.68
2-methyl-1-butanol	174.32
n-decane	33.87
butyronitrile	327.7
3,7-dimethyl-1-octanol	144.7
1-chlorooctane	132.14
1-chlorotetradecane	64.1
n-nonane	33.3
undecane	26.98
tert-butylcyclohexane	49.05
cyclooctane	39.07
cyclopentanol	346.49
tetrahydropyran	531.61
tert-amyl methyl ether	183.35
2,5,8-trioxanonane	407.45
1-hexene	114.53
2-isopropoxyethanol	190.38
2,2,2-trifluoroethanol	212.62
methyl butyrate	312.31

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