Molecular formula
C6H12OS

SMILES
CCCC(=O)CSC

Fragrance
Sweet	60.83%
Vegetable	60.02%
Sulfurous	57.04%
Fruity	55.88%
Green	50.56%
Cheesy	48.16%
Onion	47.45%
Meaty	41.37%
Metallic	41.08%
Cabbage	39.32%

 

Flavor
Sulfury	45.58%
Vegetable	44.04%
Garlic	43.96%
Onion	41.77%
Potato	41.17%
Earthy	40.79%
Fruity	39.94%
Sulfurous	39.65%
Mushroom	39.55%
Tomato	37.67%

 

Odor impact est.
High

XLogP3-AA
1.5

pKa est.
6.65 (neutral)

Molecular weight
132.23 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
199°C

Flash point

• 63.36 ˚C est.

• SCHEMBL8215438
• AKOS011320299

1-Methylsulfanylpentan-2-one is primarily used as a synthetic intermediate and building block in organic synthesis; in the fragrance industry, it may function as a sulfur-containing aroma compound or a precursor for sulfur-note fragrances; in the flavor sector, it is evaluated for aroma applications; in pharmaceutical and agrochemical development, it serves as an intermediate for sulfur-containing rings and related compounds; in general industrial manufacturing, it is used as a specialty chemical intermediate for producing sulfur-containing downstream products.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1518.52
methanol	2005.09
isopropanol	1071.44
water	7.82
ethyl acetate	527.1
n-propanol	1092.72
acetone	1324.37
n-butanol	962.16
acetonitrile	1057.67
DMF	1508.42
toluene	458.11
isobutanol	783.22
1,4-dioxane	1372.21
methyl acetate	590.64
THF	1834.04
2-butanone	802.36
n-pentanol	708.96
sec-butanol	878.11
n-hexane	283.56
ethylene glycol	419.47
NMP	1464.17
cyclohexane	630.44
DMSO	1612.82
n-butyl acetate	694.51
n-octanol	596.36
chloroform	2915.61
n-propyl acetate	463.08
acetic acid	1719.65
dichloromethane	2108.05
cyclohexanone	1866.76
propylene glycol	503.26
isopropyl acetate	328.01
DMAc	832.87
2-ethoxyethanol	642.71
isopentanol	658.19
n-heptane	319.07
ethyl formate	577.51
1,2-dichloroethane	1054.26
n-hexanol	920.18
2-methoxyethanol	1130.43
isobutyl acetate	316.16
tetrachloromethane	513.6
n-pentyl acetate	508.31
transcutol	1800.19
n-heptanol	431.78
ethylbenzene	301.5
MIBK	376.8
2-propoxyethanol	930.99
tert-butanol	961.81
MTBE	521.21
2-butoxyethanol	531.04
propionic acid	982.19
o-xylene	323.82
formic acid	499.07
diethyl ether	619.11
m-xylene	313.6
p-xylene	415.12
chlorobenzene	813.17
dimethyl carbonate	190.16
n-octane	108.91
formamide	517.82
cyclopentanone	1624.41
2-pentanone	649.86
anisole	482.91
cyclopentyl methyl ether	816.08
gamma-butyrolactone	1580.3
1-methoxy-2-propanol	803.09
pyridine	1436.24
3-pentanone	480.94
furfural	1476.84
n-dodecane	85.17
diethylene glycol	731.25
diisopropyl ether	184.92
tert-amyl alcohol	682.15
acetylacetone	645.72
n-hexadecane	95.74
acetophenone	523.98
methyl propionate	425.17
isopentyl acetate	556.14
trichloroethylene	2082.3
n-nonanol	463.83
cyclohexanol	1259.72
benzyl alcohol	555.72
2-ethylhexanol	544.58
isooctanol	323.93
dipropyl ether	544.7
1,2-dichlorobenzene	726.83
ethyl lactate	261.47
propylene carbonate	878.23
n-methylformamide	854.6
2-pentanol	594.51
n-pentane	265.3
1-propoxy-2-propanol	718.35
1-methoxy-2-propyl acetate	465.39
2-(2-methoxypropoxy) propanol	504.21
mesitylene	216.07
ε-caprolactone	1207.47
p-cymene	269.69
epichlorohydrin	1253.24
1,1,1-trichloroethane	1123.15
2-aminoethanol	697.69
morpholine-4-carbaldehyde	1294.23
sulfolane	1840.26
2,2,4-trimethylpentane	81.47
2-methyltetrahydrofuran	1241.29
n-hexyl acetate	778.47
isooctane	68.48
2-(2-butoxyethoxy)ethanol	714.47
sec-butyl acetate	268.3
tert-butyl acetate	369.97
decalin	177.34
glycerin	588.62
diglyme	1183.42
acrylic acid	903.51
isopropyl myristate	305.86
n-butyric acid	1164.82
acetyl acetate	365.7
di(2-ethylhexyl) phthalate	282.89
ethyl propionate	333.16
nitromethane	1672.95
1,2-diethoxyethane	611.81
benzonitrile	949.08
trioctyl phosphate	237.79
1-bromopropane	790.17
gamma-valerolactone	1770.49
n-decanol	336.49
triethyl phosphate	219.74
4-methyl-2-pentanol	278.91
propionitrile	811.12
vinylene carbonate	896.81
1,1,2-trichlorotrifluoroethane	1089.72
DMS	390.02
cumene	215.74
2-octanol	367.15
2-hexanone	607.15
octyl acetate	387.59
limonene	453.98
1,2-dimethoxyethane	1091.92
ethyl orthosilicate	219.23
tributyl phosphate	280.58
diacetone alcohol	473.02
N,N-dimethylaniline	371.62
acrylonitrile	1005.72
aniline	673.49
1,3-propanediol	790.92
bromobenzene	817.75
dibromomethane	1577.01
1,1,2,2-tetrachloroethane	1675.41
2-methyl-cyclohexyl acetate	440.89
tetrabutyl urea	407.2
diisobutyl methanol	302.13
2-phenylethanol	530.34
styrene	425.28
dioctyl adipate	429.71
dimethyl sulfate	340.83
ethyl butyrate	463.77
methyl lactate	322.77
butyl lactate	415.32
diethyl carbonate	304.27
propanediol butyl ether	639.59
triethyl orthoformate	331.34
p-tert-butyltoluene	237.94
methyl 4-tert-butylbenzoate	489.17
morpholine	1530.44
tert-butylamine	712.92
n-dodecanol	262.15
dimethoxymethane	597.53
ethylene carbonate	711.28
cyrene	460.96
2-ethoxyethyl acetate	477.49
2-ethylhexyl acetate	437.25
1,2,4-trichlorobenzene	837.09
4-methylpyridine	1228.43
dibutyl ether	600.38
2,6-dimethyl-4-heptanol	302.13
DEF	703.15
dimethyl isosorbide	771.46
tetrachloroethylene	1300.5
eugenol	516.82
triacetin	593.55
span 80	619.42
1,4-butanediol	385.21
1,1-dichloroethane	1201.52
2-methyl-1-pentanol	526.36
methyl formate	632.33
2-methyl-1-butanol	659.08
n-decane	145.36
butyronitrile	961.48
3,7-dimethyl-1-octanol	453.53
1-chlorooctane	442.01
1-chlorotetradecane	171.58
n-nonane	160.33
undecane	105.08
tert-butylcyclohexane	140.12
cyclooctane	162.25
cyclopentanol	1211.04
tetrahydropyran	1626.2
tert-amyl methyl ether	387.0
2,5,8-trioxanonane	828.21
1-hexene	636.16
2-isopropoxyethanol	439.24
2,2,2-trifluoroethanol	398.0
methyl butyrate	553.09

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