Molecular formula
C10H20OS

SMILES
CCCCCC(=O)CSCCC

Fragrance
Floral	59.68%
Sweet	51.65%
Grapefruit	51.65%
Citrus	50.13%
Green	47.26%
Meaty	44.31%
Herbal	40.79%
Vegetable	38.24%
Fruity	34.5%
Tropical	31.89%

 

Flavor
Green	51.79%
Sulfury	34.8%
Sulfurous	32.95%
Herbal	31.91%
Onion	30.71%
Mushroom	30.13%
Earthy	29.42%
Burnt	27.39%
Metallic	27.14%
Garlic	26.31%

 

Odor impact est.
Medium

XLogP3-AA
3.4

pKa est.
6.98 (neutral)

Molecular weight
188.33 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
255°C

Flash point

• 101.89 ˚C est.

• AKOS014463228

1-Propylsulfanylheptan-2-one has practical applications including fragrance components in perfumery; fragrance ingredients for cosmetics and personal care; fragrance ingredients for household and cleaning products; an intermediate or building block in industrial chemical synthesis; and may be evaluated as an intermediate for pharmaceutical synthesis.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	12478.8
methanol	10281.28
isopropanol	10143.42
water	0.29
ethyl acetate	10728.0
n-propanol	8175.44
acetone	25485.31
n-butanol	7588.05
acetonitrile	10381.27
DMF	12651.99
toluene	4403.39
isobutanol	5937.52
1,4-dioxane	12969.24
methyl acetate	7016.3
THF	16236.09
2-butanone	12017.68
n-pentanol	4200.49
sec-butanol	6363.64
n-hexane	1533.98
ethylene glycol	902.06
NMP	7532.76
cyclohexane	4715.71
DMSO	14059.02
n-butyl acetate	8176.58
n-octanol	1664.72
chloroform	15500.51
n-propyl acetate	5651.93
acetic acid	7931.31
dichloromethane	13802.2
cyclohexanone	19748.81
propylene glycol	1572.54
isopropyl acetate	5956.94
DMAc	5435.11
2-ethoxyethanol	4085.86
isopentanol	5655.21
n-heptane	997.31
ethyl formate	5214.05
1,2-dichloroethane	10492.54
n-hexanol	4709.23
2-methoxyethanol	8255.16
isobutyl acetate	2621.05
tetrachloromethane	2474.36
n-pentyl acetate	3786.26
transcutol	14460.68
n-heptanol	1526.23
ethylbenzene	1759.02
MIBK	4377.01
2-propoxyethanol	5169.84
tert-butanol	8325.24
MTBE	7131.25
2-butoxyethanol	2433.94
propionic acid	4913.63
o-xylene	1941.75
formic acid	1225.07
diethyl ether	11159.78
m-xylene	2270.34
p-xylene	2403.25
chlorobenzene	5352.05
dimethyl carbonate	1271.83
n-octane	316.86
formamide	2320.03
cyclopentanone	14024.93
2-pentanone	11199.69
anisole	2847.44
cyclopentyl methyl ether	8156.13
gamma-butyrolactone	9890.45
1-methoxy-2-propanol	5866.72
pyridine	13439.0
3-pentanone	5823.25
furfural	7694.54
n-dodecane	157.8
diethylene glycol	2749.59
diisopropyl ether	2307.13
tert-amyl alcohol	5068.92
acetylacetone	8734.59
n-hexadecane	196.85
acetophenone	2725.41
methyl propionate	5189.28
isopentyl acetate	5541.36
trichloroethylene	17694.23
n-nonanol	1365.32
cyclohexanol	8623.59
benzyl alcohol	2483.05
2-ethylhexanol	2574.1
isooctanol	1179.95
dipropyl ether	4504.82
1,2-dichlorobenzene	3722.79
ethyl lactate	1097.18
propylene carbonate	5062.05
n-methylformamide	5432.38
2-pentanol	5088.43
n-pentane	1304.19
1-propoxy-2-propanol	4355.53
1-methoxy-2-propyl acetate	4533.28
2-(2-methoxypropoxy) propanol	1743.79
mesitylene	1318.07
ε-caprolactone	11144.21
p-cymene	1067.87
epichlorohydrin	10681.2
1,1,1-trichloroethane	10306.49
2-aminoethanol	2374.69
morpholine-4-carbaldehyde	7923.74
sulfolane	9383.08
2,2,4-trimethylpentane	306.71
2-methyltetrahydrofuran	13112.97
n-hexyl acetate	4390.14
isooctane	289.55
2-(2-butoxyethoxy)ethanol	2979.59
sec-butyl acetate	3116.87
tert-butyl acetate	5168.87
decalin	746.64
glycerin	1565.67
diglyme	6832.6
acrylic acid	3382.58
isopropyl myristate	1274.39
n-butyric acid	10120.77
acetyl acetate	4654.82
di(2-ethylhexyl) phthalate	863.09
ethyl propionate	3676.58
nitromethane	12239.01
1,2-diethoxyethane	6469.12
benzonitrile	4975.19
trioctyl phosphate	716.69
1-bromopropane	7138.65
gamma-valerolactone	14983.93
n-decanol	888.4
triethyl phosphate	958.38
4-methyl-2-pentanol	1955.67
propionitrile	6504.55
vinylene carbonate	4572.52
1,1,2-trichlorotrifluoroethane	5956.18
DMS	2354.68
cumene	884.78
2-octanol	1230.97
2-hexanone	5995.32
octyl acetate	1531.53
limonene	2267.4
1,2-dimethoxyethane	9000.75
ethyl orthosilicate	1000.88
tributyl phosphate	1014.17
diacetone alcohol	4344.33
N,N-dimethylaniline	1560.56
acrylonitrile	6351.35
aniline	4545.64
1,3-propanediol	4135.59
bromobenzene	5922.18
dibromomethane	10509.21
1,1,2,2-tetrachloroethane	12274.19
2-methyl-cyclohexyl acetate	2138.3
tetrabutyl urea	1371.39
diisobutyl methanol	1423.28
2-phenylethanol	2483.81
styrene	2798.23
dioctyl adipate	1663.01
dimethyl sulfate	1807.28
ethyl butyrate	4029.83
methyl lactate	1527.26
butyl lactate	2143.84
diethyl carbonate	1835.86
propanediol butyl ether	2470.34
triethyl orthoformate	2217.1
p-tert-butyltoluene	989.31
methyl 4-tert-butylbenzoate	1613.61
morpholine	16848.7
tert-butylamine	5199.89
n-dodecanol	645.19
dimethoxymethane	5695.71
ethylene carbonate	4627.25
cyrene	1440.77
2-ethoxyethyl acetate	4041.91
2-ethylhexyl acetate	4026.89
1,2,4-trichlorobenzene	4086.83
4-methylpyridine	11755.0
dibutyl ether	3822.84
2,6-dimethyl-4-heptanol	1423.28
DEF	8725.81
dimethyl isosorbide	2981.37
tetrachloroethylene	8436.29
eugenol	1540.48
triacetin	2626.52
span 80	2083.99
1,4-butanediol	1368.55
1,1-dichloroethane	12073.61
2-methyl-1-pentanol	2792.58
methyl formate	3387.01
2-methyl-1-butanol	4560.82
n-decane	360.9
butyronitrile	9908.51
3,7-dimethyl-1-octanol	1640.94
1-chlorooctane	1452.5
1-chlorotetradecane	457.93
n-nonane	404.96
undecane	223.58
tert-butylcyclohexane	553.1
cyclooctane	861.4
cyclopentanol	6919.35
tetrahydropyran	21316.63
tert-amyl methyl ether	3805.97
2,5,8-trioxanonane	3353.61
1-hexene	4774.11
2-isopropoxyethanol	2749.79
2,2,2-trifluoroethanol	1495.29
methyl butyrate	6090.39

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