Molecular formula
C11H22OS

SMILES
CCCCCC(=O)C(CCCC)S

Fragrance
Herbal	66.68%
Grapefruit	64.68%
Green	58.94%
Fruity	48.22%
Citrus	45.46%
Mint	37.96%
Tropical	33.34%
Spicy	33.1%
Black currant	33.01%
Fresh	27.0%

 

Flavor
Herbal	31.86%
Green	26.98%
Sulfurous	25.92%
Sulfury	25.39%
Mild	20.42%
Skunky	20.12%
Acrid	20.11%
Glue	20.09%
Violet-leaf	20.05%
Bloody	20.0%

 

Odor impact est.
High

XLogP3-AA
4.0

pKa est.
7.34 (neutral)

Molecular weight
202.36 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
263°C

Flash point

• 96.47 ˚C est.

• SCHEMBL11659766

5-Sulfanylundecan-6-one (CAS number: ) is an aliphatic thiol-ketone that is used as a synthetic building block and has potential in specialty applications. In perfumery and cosmetics, it can serve as an odorant/fragrance component. It can also be used as a thiol-functional building block for thiol-ene polymerization to form networks in coatings and inks. As a synthetic intermediate, it is evaluated for pharmaceutical and agrochemical development. Subject to local regulations and formulation constraints, it may appear in specialty industrial or personal care formulations where thiol and ketone functionalities are desired.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3318.92
methanol	2835.47
isopropanol	3334.4
water	0.21
ethyl acetate	3177.28
n-propanol	2530.53
acetone	6939.22
n-butanol	2402.15
acetonitrile	3111.28
DMF	4125.73
toluene	1458.56
isobutanol	1991.71
1,4-dioxane	4272.5
methyl acetate	2604.22
THF	5983.71
2-butanone	4060.46
n-pentanol	1471.45
sec-butanol	2459.53
n-hexane	446.69
ethylene glycol	235.52
NMP	2910.78
cyclohexane	1095.33
DMSO	3367.85
n-butyl acetate	2891.67
n-octanol	648.96
chloroform	5965.56
n-propyl acetate	2015.67
acetic acid	2110.38
dichloromethane	4909.31
cyclohexanone	5975.13
propylene glycol	464.61
isopropyl acetate	1998.02
DMAc	2357.04
2-ethoxyethanol	1426.88
isopentanol	2054.45
n-heptane	240.63
ethyl formate	1703.74
1,2-dichloroethane	3666.02
n-hexanol	1605.68
2-methoxyethanol	2424.94
isobutyl acetate	1173.62
tetrachloromethane	952.68
n-pentyl acetate	1567.71
transcutol	4922.65
n-heptanol	608.22
ethylbenzene	713.38
MIBK	1612.94
2-propoxyethanol	1878.65
tert-butanol	3278.89
MTBE	3255.77
2-butoxyethanol	1045.13
propionic acid	1572.93
o-xylene	762.99
formic acid	363.27
diethyl ether	3586.83
m-xylene	822.23
p-xylene	1026.68
chlorobenzene	2033.71
dimethyl carbonate	456.67
n-octane	99.34
formamide	652.33
cyclopentanone	4755.71
2-pentanone	3473.7
anisole	1195.17
cyclopentyl methyl ether	2367.86
gamma-butyrolactone	3869.3
1-methoxy-2-propanol	1851.75
pyridine	4644.53
3-pentanone	1982.95
furfural	2936.07
n-dodecane	64.05
diethylene glycol	1026.96
diisopropyl ether	833.24
tert-amyl alcohol	2206.0
acetylacetone	2691.31
n-hexadecane	78.21
acetophenone	1163.51
methyl propionate	1616.48
isopentyl acetate	2201.87
trichloroethylene	6517.77
n-nonanol	535.52
cyclohexanol	2535.78
benzyl alcohol	1038.08
2-ethylhexanol	896.64
isooctanol	514.33
dipropyl ether	1214.22
1,2-dichlorobenzene	1532.82
ethyl lactate	448.99
propylene carbonate	1992.32
n-methylformamide	1556.74
2-pentanol	1781.3
n-pentane	362.62
1-propoxy-2-propanol	1517.88
1-methoxy-2-propyl acetate	1543.61
2-(2-methoxypropoxy) propanol	804.14
mesitylene	503.49
ε-caprolactone	3715.52
p-cymene	401.28
epichlorohydrin	4103.96
1,1,1-trichloroethane	3869.73
2-aminoethanol	658.89
morpholine-4-carbaldehyde	2690.63
sulfolane	3268.44
2,2,4-trimethylpentane	131.18
2-methyltetrahydrofuran	4418.23
n-hexyl acetate	1705.16
isooctane	112.99
2-(2-butoxyethoxy)ethanol	1211.75
sec-butyl acetate	1261.65
tert-butyl acetate	1793.12
decalin	252.57
glycerin	524.81
diglyme	2553.95
acrylic acid	1117.45
isopropyl myristate	517.38
n-butyric acid	2950.12
acetyl acetate	1519.34
di(2-ethylhexyl) phthalate	399.62
ethyl propionate	1242.29
nitromethane	3520.0
1,2-diethoxyethane	2245.66
benzonitrile	1833.14
trioctyl phosphate	313.9
1-bromopropane	2580.63
gamma-valerolactone	4643.58
n-decanol	360.07
triethyl phosphate	408.7
4-methyl-2-pentanol	806.64
propionitrile	2221.82
vinylene carbonate	1751.83
1,1,2-trichlorotrifluoroethane	2150.19
DMS	996.93
cumene	398.95
2-octanol	529.68
2-hexanone	2233.64
octyl acetate	624.82
limonene	721.47
1,2-dimethoxyethane	3121.16
ethyl orthosilicate	417.45
tributyl phosphate	417.66
diacetone alcohol	1471.03
N,N-dimethylaniline	666.47
acrylonitrile	2199.08
aniline	1445.69
1,3-propanediol	1217.08
bromobenzene	2207.61
dibromomethane	3643.53
1,1,2,2-tetrachloroethane	4947.18
2-methyl-cyclohexyl acetate	849.55
tetrabutyl urea	527.59
diisobutyl methanol	538.79
2-phenylethanol	990.93
styrene	1063.55
dioctyl adipate	661.79
dimethyl sulfate	667.41
ethyl butyrate	1307.08
methyl lactate	521.87
butyl lactate	877.57
diethyl carbonate	717.13
propanediol butyl ether	971.28
triethyl orthoformate	768.68
p-tert-butyltoluene	371.25
methyl 4-tert-butylbenzoate	752.35
morpholine	5017.08
tert-butylamine	1992.54
n-dodecanol	258.39
dimethoxymethane	1730.18
ethylene carbonate	1608.67
cyrene	697.85
2-ethoxyethyl acetate	1678.94
2-ethylhexyl acetate	1604.86
1,2,4-trichlorobenzene	1738.67
4-methylpyridine	4107.7
dibutyl ether	1208.03
2,6-dimethyl-4-heptanol	538.79
DEF	2606.86
dimethyl isosorbide	1281.9
tetrachloroethylene	3093.68
eugenol	735.56
triacetin	1128.95
span 80	859.92
1,4-butanediol	480.84
1,1-dichloroethane	4587.12
2-methyl-1-pentanol	1215.11
methyl formate	1130.08
2-methyl-1-butanol	1729.38
n-decane	131.01
butyronitrile	3183.31
3,7-dimethyl-1-octanol	652.53
1-chlorooctane	552.29
1-chlorotetradecane	184.84
n-nonane	135.67
undecane	86.71
tert-butylcyclohexane	203.51
cyclooctane	207.04
cyclopentanol	2212.63
tetrahydropyran	6084.55
tert-amyl methyl ether	1643.27
2,5,8-trioxanonane	1404.12
1-hexene	1593.82
2-isopropoxyethanol	1127.77
2,2,2-trifluoroethanol	504.36
methyl butyrate	2123.4

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