Molecular formula
C9H18OS

SMILES
CCCCCCC(=O)CSC

Fragrance
Citrus	53.3%
Meaty	49.87%
Grapefruit	46.75%
Sweet	45.87%
Floral	42.61%
Green	38.46%
Vegetable	37.85%
Fatty	36.35%
Fruity	35.66%
Herbal	35.61%

 

Flavor
Green	46.34%
Mushroom	36.61%
Earthy	34.21%
Fruity	34.05%
Sulfury	33.17%
Herbal	33.09%
Vegetable	26.5%
Fatty	26.07%
Burnt	26.05%
Oily	25.57%

 

Odor impact est.
High

XLogP3-AA
3.1

pKa est.
7.48 (neutral)

Molecular weight
174.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
247°C

Flash point

• 91.06 ˚C est.

• AKOS011987087

1-Methylsulfanyloctan-2-one is a sulfur-containing ketone commonly regarded as an aroma intermediate and odor-active compound in fragrance chemistry. Practical applications include perfumery/fragrance formulations as an aroma ingredient and scent release; cosmetics/personal care as a fragrance component; household products such as cleaners and air fresheners as a scent additive; coatings, inks, and paints as an odorant additive; industrial manufacturing as an intermediate for synthesizing other fragrance compounds; and polymers/plastics as a scent modifier or processing aid.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	8523.29
methanol	8954.78
isopropanol	7387.04
water	0.52
ethyl acetate	5936.41
n-propanol	6840.45
acetone	19447.44
n-butanol	5736.37
acetonitrile	7577.97
DMF	8815.84
toluene	3220.45
isobutanol	5064.07
1,4-dioxane	8207.73
methyl acetate	4661.48
THF	10625.79
2-butanone	8923.47
n-pentanol	3573.72
sec-butanol	5278.22
n-hexane	1780.63
ethylene glycol	999.45
NMP	5928.96
cyclohexane	3200.17
DMSO	12216.92
n-butyl acetate	5100.56
n-octanol	1438.21
chloroform	11795.38
n-propyl acetate	3957.2
acetic acid	6708.61
dichloromethane	8870.57
cyclohexanone	14665.71
propylene glycol	1598.68
isopropyl acetate	3313.64
DMAc	3954.0
2-ethoxyethanol	3278.91
isopentanol	4253.01
n-heptane	728.39
ethyl formate	3128.08
1,2-dichloroethane	7376.38
n-hexanol	3650.31
2-methoxyethanol	6019.11
isobutyl acetate	1996.99
tetrachloromethane	2297.33
n-pentyl acetate	2630.38
transcutol	11530.29
n-heptanol	1258.38
ethylbenzene	1419.01
MIBK	3113.05
2-propoxyethanol	4061.07
tert-butanol	6515.56
MTBE	5228.07
2-butoxyethanol	2021.1
propionic acid	4505.93
o-xylene	1551.33
formic acid	1430.05
diethyl ether	7129.59
m-xylene	1771.07
p-xylene	1893.44
chlorobenzene	4151.54
dimethyl carbonate	946.78
n-octane	245.93
formamide	2213.3
cyclopentanone	10755.54
2-pentanone	7481.26
anisole	2154.5
cyclopentyl methyl ether	6144.76
gamma-butyrolactone	7746.65
1-methoxy-2-propanol	4160.95
pyridine	8556.85
3-pentanone	4567.57
furfural	5756.36
n-dodecane	120.66
diethylene glycol	2401.78
diisopropyl ether	1655.75
tert-amyl alcohol	4490.98
acetylacetone	5626.49
n-hexadecane	147.59
acetophenone	2032.92
methyl propionate	3510.33
isopentyl acetate	3544.39
trichloroethylene	12854.03
n-nonanol	1131.47
cyclohexanol	6905.94
benzyl alcohol	1982.19
2-ethylhexanol	1997.15
isooctanol	997.64
dipropyl ether	2894.14
1,2-dichlorobenzene	3022.65
ethyl lactate	903.78
propylene carbonate	3654.58
n-methylformamide	4393.36
2-pentanol	3875.06
n-pentane	1169.44
1-propoxy-2-propanol	3239.1
1-methoxy-2-propyl acetate	2927.13
2-(2-methoxypropoxy) propanol	1531.45
mesitylene	1077.06
ε-caprolactone	7832.15
p-cymene	773.33
epichlorohydrin	7338.74
1,1,1-trichloroethane	8099.67
2-aminoethanol	2329.93
morpholine-4-carbaldehyde	5505.92
sulfolane	8326.34
2,2,4-trimethylpentane	298.99
2-methyltetrahydrofuran	9296.86
n-hexyl acetate	3223.91
isooctane	257.06
2-(2-butoxyethoxy)ethanol	2507.19
sec-butyl acetate	2184.85
tert-butyl acetate	3189.15
decalin	670.17
glycerin	1716.74
diglyme	4913.24
acrylic acid	3265.86
isopropyl myristate	930.3
n-butyric acid	7200.14
acetyl acetate	2624.29
di(2-ethylhexyl) phthalate	690.68
ethyl propionate	2460.98
nitromethane	9080.62
1,2-diethoxyethane	4236.94
benzonitrile	3789.76
trioctyl phosphate	573.76
1-bromopropane	5053.96
gamma-valerolactone	10455.73
n-decanol	717.53
triethyl phosphate	708.98
4-methyl-2-pentanol	1572.71
propionitrile	4862.32
vinylene carbonate	3284.9
1,1,2-trichlorotrifluoroethane	5103.09
DMS	1759.95
cumene	772.63
2-octanol	1038.32
2-hexanone	4794.29
octyl acetate	1127.57
limonene	1636.42
1,2-dimethoxyethane	6191.12
ethyl orthosilicate	754.86
tributyl phosphate	801.67
diacetone alcohol	3181.21
N,N-dimethylaniline	1241.94
acrylonitrile	5219.46
aniline	3631.04
1,3-propanediol	3410.67
bromobenzene	4353.13
dibromomethane	7144.86
1,1,2,2-tetrachloroethane	9785.3
2-methyl-cyclohexyl acetate	1607.04
tetrabutyl urea	1073.87
diisobutyl methanol	1086.98
2-phenylethanol	1888.9
styrene	2143.85
dioctyl adipate	1265.34
dimethyl sulfate	1557.75
ethyl butyrate	2387.59
methyl lactate	1271.82
butyl lactate	1674.5
diethyl carbonate	1162.59
propanediol butyl ether	2175.11
triethyl orthoformate	1465.24
p-tert-butyltoluene	726.8
methyl 4-tert-butylbenzoate	1310.31
morpholine	10562.75
tert-butylamine	4274.67
n-dodecanol	508.09
dimethoxymethane	3673.22
ethylene carbonate	3075.59
cyrene	1256.46
2-ethoxyethyl acetate	2850.89
2-ethylhexyl acetate	2714.19
1,2,4-trichlorobenzene	3240.59
4-methylpyridine	7595.19
dibutyl ether	2874.64
2,6-dimethyl-4-heptanol	1086.98
DEF	5730.59
dimethyl isosorbide	2396.53
tetrachloroethylene	7080.97
eugenol	1283.44
triacetin	2037.7
span 80	1685.12
1,4-butanediol	1325.83
1,1-dichloroethane	8508.43
2-methyl-1-pentanol	2575.38
methyl formate	2663.4
2-methyl-1-butanol	3949.28
n-decane	282.56
butyronitrile	6107.76
3,7-dimethyl-1-octanol	1401.96
1-chlorooctane	1195.98
1-chlorotetradecane	346.93
n-nonane	326.98
undecane	173.82
tert-butylcyclohexane	510.12
cyclooctane	679.53
cyclopentanol	5932.23
tetrahydropyran	13542.72
tert-amyl methyl ether	3126.97
2,5,8-trioxanonane	2612.42
1-hexene	4477.35
2-isopropoxyethanol	2282.26
2,2,2-trifluoroethanol	1424.05
methyl butyrate	4002.42

Scent© AI