Molecular formula
C8H16OS

SMILES
CCCCCC(=S)OCC

Fragrance
Fruity	90.94%
Tropical	70.19%
Cheesy	65.43%
Sulfurous	57.32%
Pineapple	44.98%
Ripe	38.49%
Green	30.88%
Dairy	28.45%
Vegetable	27.42%
Grape	26.15%

 

Flavor
Fruity	80.89%
Pineapple	62.25%
Sweet	47.99%
Green	44.64%
Tropical	43.77%
Fruit	43.25%
Apple	37.23%
Ripe	34.51%
Banana	33.14%
Pear	32.02%

 

Odor impact est.
Low

XLogP3-AA
3.0

pKa est.
10.21 (weak base)

Molecular weight
160.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
222°C

Flash point

• 55.16 ˚C est.

• SCHEMBL8744937

O-ethyl hexanethioate is a thioester used primarily as an organic synthesis intermediate, enabling acyl-transfer reactions to form thioesters and related derivatives. In pharmaceutical and agrochemical development, it is commonly used as a building block for more complex molecules. It may be explored in fragrance chemistry as a precursor or odor-active component. In polymers and materials science, it can serve as a starting material for thioester-containing polymers or for surface-functionalization methods. In research and development, it functions as an acyl-transfer reagent or a reactive thioester building block, depending on the process and formulation constraints; its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2101.1
methanol	2029.26
isopropanol	1488.02
water	0.45
ethyl acetate	1913.34
n-propanol	1483.61
acetone	3264.85
n-butanol	1549.61
acetonitrile	2126.31
DMF	2317.98
toluene	1265.11
isobutanol	1077.25
1,4-dioxane	3780.94
methyl acetate	1556.57
THF	4447.06
2-butanone	2025.89
n-pentanol	1032.91
sec-butanol	1272.72
n-hexane	478.38
ethylene glycol	303.15
NMP	1943.42
cyclohexane	1374.8
DMSO	3057.74
n-butyl acetate	2010.71
n-octanol	623.41
chloroform	5195.87
n-propyl acetate	1190.6
acetic acid	2204.28
dichloromethane	4294.1
cyclohexanone	3510.92
propylene glycol	405.54
isopropyl acetate	1063.81
DMAc	1558.01
2-ethoxyethanol	1319.4
isopentanol	1209.52
n-heptane	444.82
ethyl formate	1043.37
1,2-dichloroethane	2636.17
n-hexanol	1453.81
2-methoxyethanol	2018.82
isobutyl acetate	726.15
tetrachloromethane	1062.2
n-pentyl acetate	959.89
transcutol	4240.78
n-heptanol	497.11
ethylbenzene	551.94
MIBK	830.79
2-propoxyethanol	1807.97
tert-butanol	1777.86
MTBE	1786.29
2-butoxyethanol	832.31
propionic acid	1097.51
o-xylene	641.92
formic acid	409.62
diethyl ether	2336.29
m-xylene	682.71
p-xylene	745.89
chlorobenzene	1530.61
dimethyl carbonate	346.77
n-octane	136.29
formamide	566.87
cyclopentanone	2858.59
2-pentanone	1675.1
anisole	959.5
cyclopentyl methyl ether	1921.96
gamma-butyrolactone	2359.62
1-methoxy-2-propanol	1327.93
pyridine	2881.78
3-pentanone	1210.27
furfural	2117.39
n-dodecane	102.31
diethylene glycol	1079.32
diisopropyl ether	548.85
tert-amyl alcohol	1361.75
acetylacetone	1615.6
n-hexadecane	119.47
acetophenone	868.32
methyl propionate	1008.76
isopentyl acetate	1455.94
trichloroethylene	4750.64
n-nonanol	538.01
cyclohexanol	2019.13
benzyl alcohol	805.62
2-ethylhexanol	858.58
isooctanol	394.75
dipropyl ether	1283.31
1,2-dichlorobenzene	1186.9
ethyl lactate	360.86
propylene carbonate	1317.12
n-methylformamide	1002.25
2-pentanol	1000.52
n-pentane	432.99
1-propoxy-2-propanol	1349.78
1-methoxy-2-propyl acetate	1234.13
2-(2-methoxypropoxy) propanol	841.39
mesitylene	427.77
ε-caprolactone	2173.9
p-cymene	416.34
epichlorohydrin	2809.81
1,1,1-trichloroethane	2955.44
2-aminoethanol	599.29
morpholine-4-carbaldehyde	2226.45
sulfolane	2530.84
2,2,4-trimethylpentane	152.2
2-methyltetrahydrofuran	3304.73
n-hexyl acetate	1266.53
isooctane	116.22
2-(2-butoxyethoxy)ethanol	1213.58
sec-butyl acetate	726.84
tert-butyl acetate	1068.63
decalin	291.77
glycerin	520.14
diglyme	2281.34
acrylic acid	910.76
isopropyl myristate	498.09
n-butyric acid	1789.25
acetyl acetate	1187.68
di(2-ethylhexyl) phthalate	413.18
ethyl propionate	780.97
nitromethane	2818.46
1,2-diethoxyethane	2042.07
benzonitrile	1423.69
trioctyl phosphate	309.64
1-bromopropane	1997.35
gamma-valerolactone	2934.87
n-decanol	393.35
triethyl phosphate	422.2
4-methyl-2-pentanol	484.81
propionitrile	1478.21
vinylene carbonate	1212.16
1,1,2-trichlorotrifluoroethane	1762.34
DMS	803.25
cumene	325.91
2-octanol	402.11
2-hexanone	1297.47
octyl acetate	615.54
limonene	777.96
1,2-dimethoxyethane	2670.67
ethyl orthosilicate	428.6
tributyl phosphate	420.83
diacetone alcohol	952.56
N,N-dimethylaniline	585.56
acrylonitrile	1419.79
aniline	1166.44
1,3-propanediol	984.1
bromobenzene	1752.87
dibromomethane	3183.7
1,1,2,2-tetrachloroethane	3576.06
2-methyl-cyclohexyl acetate	793.12
tetrabutyl urea	538.79
diisobutyl methanol	471.74
2-phenylethanol	840.77
styrene	811.36
dioctyl adipate	688.16
dimethyl sulfate	564.01
ethyl butyrate	1093.32
methyl lactate	413.32
butyl lactate	594.7
diethyl carbonate	667.92
propanediol butyl ether	806.81
triethyl orthoformate	751.81
p-tert-butyltoluene	402.94
methyl 4-tert-butylbenzoate	643.15
morpholine	3960.87
tert-butylamine	1267.44
n-dodecanol	312.67
dimethoxymethane	1370.54
ethylene carbonate	1086.11
cyrene	669.34
2-ethoxyethyl acetate	1147.52
2-ethylhexyl acetate	1168.03
1,2,4-trichlorobenzene	1405.25
4-methylpyridine	2756.44
dibutyl ether	1117.05
2,6-dimethyl-4-heptanol	471.74
DEF	1542.15
dimethyl isosorbide	1413.64
tetrachloroethylene	2450.37
eugenol	652.71
triacetin	1025.51
span 80	879.82
1,4-butanediol	427.7
1,1-dichloroethane	3020.66
2-methyl-1-pentanol	848.35
methyl formate	780.52
2-methyl-1-butanol	1073.33
n-decane	179.45
butyronitrile	2029.18
3,7-dimethyl-1-octanol	640.05
1-chlorooctane	581.39
1-chlorotetradecane	234.43
n-nonane	192.22
undecane	127.8
tert-butylcyclohexane	240.0
cyclooctane	322.85
cyclopentanol	1608.84
tetrahydropyran	4624.08
tert-amyl methyl ether	1107.86
2,5,8-trioxanonane	1519.94
1-hexene	1112.55
2-isopropoxyethanol	896.6
2,2,2-trifluoroethanol	469.66
methyl butyrate	1188.76

Scent© AI