Molecular formula
C7H14OS

SMILES
CCCCC(=S)OCC

Fragrance
Fruity	89.57%
Cheesy	68.91%
Tropical	65.7%
Sulfurous	59.03%
Pineapple	42.09%
Ripe	41.12%
Dairy	28.34%
Grape	26.85%
Fermented	26.53%
Sour	26.09%

 

Flavor
Fruity	79.34%
Pineapple	65.79%
Sweet	53.99%
Fruit	44.07%
Tropical	42.45%
Apple	37.41%
Green	37.05%
Ripe	35.9%
Banana	35.18%
Ethereal	34.62%

 

Odor impact est.
Low

XLogP3-AA
2.5

pKa est.
10.63 (weak base)

Molecular weight
146.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
201°C

Flash point

• 42.42 ˚C est.

• SCHEMBL10890938

O-ethyl pentanethioate is primarily used as an acyl-transfer intermediate in organic synthesis, enabling the preparation of pentanoic acid derivatives and other sulfur-containing compounds. It may serve as a building block for pharmaceutical and agrochemical synthesis, where thioester chemistry is employed under controlled conditions. In the fragrance and flavor sector, it can function as an odorant precursor or fragrance intermediate, depending on formulation. The compound also finds use in research and development as a reactive starting material for method development and for exploring thioester-based transformations. In materials chemistry, it may be employed to introduce thioester functionalities into polymers or coatings as part of specialized formulations, subject to regulatory and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	855.55
methanol	1026.34
isopropanol	714.37
water	0.87
ethyl acetate	651.95
n-propanol	680.44
acetone	1278.49
n-butanol	715.83
acetonitrile	965.1
DMF	1435.42
toluene	650.24
isobutanol	540.28
1,4-dioxane	1667.16
methyl acetate	732.27
THF	1747.25
2-butanone	935.37
n-pentanol	539.94
sec-butanol	659.2
n-hexane	234.84
ethylene glycol	224.33
NMP	1227.38
cyclohexane	587.04
DMSO	1688.66
n-butyl acetate	800.42
n-octanol	415.64
chloroform	2621.87
n-propyl acetate	524.73
acetic acid	1004.18
dichloromethane	2115.1
cyclohexanone	1546.43
propylene glycol	283.83
isopropyl acetate	397.95
DMAc	1077.4
2-ethoxyethanol	699.0
isopentanol	565.13
n-heptane	237.04
ethyl formate	494.21
1,2-dichloroethane	1220.97
n-hexanol	717.01
2-methoxyethanol	1029.38
isobutyl acetate	350.45
tetrachloromethane	566.9
n-pentyl acetate	482.39
transcutol	1844.19
n-heptanol	309.45
ethylbenzene	352.81
MIBK	404.68
2-propoxyethanol	943.72
tert-butanol	881.8
MTBE	772.18
2-butoxyethanol	482.53
propionic acid	593.72
o-xylene	395.64
formic acid	209.76
diethyl ether	819.29
m-xylene	384.02
p-xylene	490.91
chlorobenzene	879.2
dimethyl carbonate	204.18
n-octane	91.86
formamide	271.65
cyclopentanone	1396.14
2-pentanone	687.86
anisole	607.09
cyclopentyl methyl ether	816.64
gamma-butyrolactone	1206.52
1-methoxy-2-propanol	756.27
pyridine	1394.53
3-pentanone	576.55
furfural	1304.88
n-dodecane	77.91
diethylene glycol	656.58
diisopropyl ether	233.13
tert-amyl alcohol	743.36
acetylacetone	721.26
n-hexadecane	90.24
acetophenone	590.9
methyl propionate	470.58
isopentyl acetate	621.08
trichloroethylene	2241.2
n-nonanol	353.87
cyclohexanol	936.88
benzyl alcohol	517.06
2-ethylhexanol	474.44
isooctanol	254.93
dipropyl ether	603.99
1,2-dichlorobenzene	759.89
ethyl lactate	243.54
propylene carbonate	679.33
n-methylformamide	557.34
2-pentanol	480.81
n-pentane	208.05
1-propoxy-2-propanol	709.77
1-methoxy-2-propyl acetate	589.13
2-(2-methoxypropoxy) propanol	528.51
mesitylene	261.16
ε-caprolactone	1023.23
p-cymene	280.85
epichlorohydrin	1305.19
1,1,1-trichloroethane	1446.52
2-aminoethanol	374.96
morpholine-4-carbaldehyde	1330.63
sulfolane	1516.56
2,2,4-trimethylpentane	101.46
2-methyltetrahydrofuran	1365.82
n-hexyl acetate	692.95
isooctane	71.84
2-(2-butoxyethoxy)ethanol	691.49
sec-butyl acetate	335.96
tert-butyl acetate	466.47
decalin	179.71
glycerin	388.85
diglyme	1326.24
acrylic acid	531.64
isopropyl myristate	310.96
n-butyric acid	762.44
acetyl acetate	492.95
di(2-ethylhexyl) phthalate	274.3
ethyl propionate	391.3
nitromethane	1277.38
1,2-diethoxyethane	864.79
benzonitrile	894.73
trioctyl phosphate	210.8
1-bromopropane	909.67
gamma-valerolactone	1476.82
n-decanol	262.31
triethyl phosphate	264.74
4-methyl-2-pentanol	259.62
propionitrile	744.39
vinylene carbonate	717.96
1,1,2-trichlorotrifluoroethane	1001.23
DMS	455.31
cumene	234.98
2-octanol	265.11
2-hexanone	656.28
octyl acetate	370.97
limonene	466.6
1,2-dimethoxyethane	1311.63
ethyl orthosilicate	259.23
tributyl phosphate	259.69
diacetone alcohol	493.19
N,N-dimethylaniline	421.39
acrylonitrile	831.84
aniline	628.18
1,3-propanediol	559.16
bromobenzene	994.77
dibromomethane	1553.93
1,1,2,2-tetrachloroethane	1891.8
2-methyl-cyclohexyl acetate	458.2
tetrabutyl urea	356.07
diisobutyl methanol	283.02
2-phenylethanol	521.17
styrene	499.62
dioctyl adipate	416.61
dimethyl sulfate	371.68
ethyl butyrate	524.44
methyl lactate	272.74
butyl lactate	345.05
diethyl carbonate	377.48
propanediol butyl ether	484.53
triethyl orthoformate	379.86
p-tert-butyltoluene	272.17
methyl 4-tert-butylbenzoate	442.14
morpholine	1616.4
tert-butylamine	606.96
n-dodecanol	213.75
dimethoxymethane	698.49
ethylene carbonate	582.54
cyrene	443.36
2-ethoxyethyl acetate	548.66
2-ethylhexyl acetate	515.17
1,2,4-trichlorobenzene	906.55
4-methylpyridine	1385.69
dibutyl ether	567.71
2,6-dimethyl-4-heptanol	283.02
DEF	780.84
dimethyl isosorbide	802.76
tetrachloroethylene	1235.3
eugenol	464.67
triacetin	620.02
span 80	555.32
1,4-butanediol	285.5
1,1-dichloroethane	1378.2
2-methyl-1-pentanol	474.35
methyl formate	442.1
2-methyl-1-butanol	550.2
n-decane	128.75
butyronitrile	878.46
3,7-dimethyl-1-octanol	404.27
1-chlorooctane	364.49
1-chlorotetradecane	168.82
n-nonane	132.04
undecane	95.59
tert-butylcyclohexane	155.08
cyclooctane	163.63
cyclopentanol	854.56
tetrahydropyran	1698.83
tert-amyl methyl ether	572.02
2,5,8-trioxanonane	931.69
1-hexene	567.58
2-isopropoxyethanol	506.76
2,2,2-trifluoroethanol	261.07
methyl butyrate	592.27

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