Molecular formula
C8H16OS

SMILES
CCCCCC(C=O)SC

Fragrance
Green	75.21%
Citrus	57.57%
Fatty	50.88%
Sulfurous	48.22%
Grapefruit	45.96%
Vegetable	45.94%
Meaty	44.76%
Tropical	44.7%
Fruity	43.34%
Onion	40.52%

 

Flavor
Green	62.72%
Sulfurous	40.26%
Onion	38.35%
Metallic	35.54%
Garlic	29.18%
Sulfury	29.05%
Tropical	28.66%
Vegetable	27.02%
Radish	25.02%
Earthy	24.26%

 

Odor impact est.
High

XLogP3-AA
2.8

pKa est.
6.34 (neutral)

Molecular weight
160.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
221°C

Flash point

• 83.26 ˚C est.

Chemical name: 2-methylsulfanylheptanal; CAS number: may serve as a valuable intermediate in organic synthesis and as a sulfur-containing aldehyde with potential applications in fragrance and polymer-related chemistries. In perfumery and flavor domains, it may be evaluated as an odorant precursor or aroma intermediate, contributing distinctive sulfur notes. In cosmetics/personal care, it could be used as a fragrance ingredient or intermediate in scent formulations, within regulatory limits. In industrial manufacturing, it can function as a building block for sulfur-containing intermediates. In polymers/plastics and coatings/inks, it may participate in aldehyde- or thioether-functionalization workflows to introduce sulfur functionality into materials. All uses would be subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	6684.88
methanol	6151.33
isopropanol	5246.05
water	0.26
ethyl acetate	5955.21
n-propanol	5339.84
acetone	14071.44
n-butanol	4760.79
acetonitrile	5758.87
DMF	7074.36
toluene	2592.19
isobutanol	3641.8
1,4-dioxane	7326.9
methyl acetate	4299.48
THF	11069.15
2-butanone	7463.95
n-pentanol	2759.65
sec-butanol	3680.09
n-hexane	763.21
ethylene glycol	611.8
NMP	5257.96
cyclohexane	1963.78
DMSO	11055.98
n-butyl acetate	5376.74
n-octanol	892.59
chloroform	9515.09
n-propyl acetate	3852.86
acetic acid	5160.25
dichloromethane	9086.29
cyclohexanone	13262.15
propylene glycol	1103.49
isopropyl acetate	3035.21
DMAc	2423.92
2-ethoxyethanol	2803.25
isopentanol	3366.32
n-heptane	434.18
ethyl formate	3661.14
1,2-dichloroethane	7832.95
n-hexanol	3047.78
2-methoxyethanol	5357.5
isobutyl acetate	1733.54
tetrachloromethane	2114.61
n-pentyl acetate	2115.81
transcutol	9169.94
n-heptanol	943.19
ethylbenzene	1101.99
MIBK	2631.8
2-propoxyethanol	3466.73
tert-butanol	4884.48
MTBE	3705.9
2-butoxyethanol	1610.62
propionic acid	3985.71
o-xylene	1225.54
formic acid	1064.09
diethyl ether	5026.46
m-xylene	1461.08
p-xylene	1426.7
chlorobenzene	4380.88
dimethyl carbonate	856.49
n-octane	135.05
formamide	2156.37
cyclopentanone	10849.35
2-pentanone	6826.69
anisole	1894.3
cyclopentyl methyl ether	5457.47
gamma-butyrolactone	9009.92
1-methoxy-2-propanol	3731.82
pyridine	8241.01
3-pentanone	3558.01
furfural	6839.91
n-dodecane	63.2
diethylene glycol	1913.66
diisopropyl ether	1179.27
tert-amyl alcohol	3289.26
acetylacetone	5153.25
n-hexadecane	79.22
acetophenone	1828.01
methyl propionate	3390.21
isopentyl acetate	3422.61
trichloroethylene	13856.01
n-nonanol	702.22
cyclohexanol	5447.8
benzyl alcohol	1670.04
2-ethylhexanol	1672.87
isooctanol	748.07
dipropyl ether	2243.0
1,2-dichlorobenzene	3160.95
ethyl lactate	840.05
propylene carbonate	4184.39
n-methylformamide	4890.92
2-pentanol	2895.32
n-pentane	580.77
1-propoxy-2-propanol	3131.28
1-methoxy-2-propyl acetate	2839.57
2-(2-methoxypropoxy) propanol	1128.12
mesitylene	836.87
ε-caprolactone	7895.07
p-cymene	640.22
epichlorohydrin	9079.68
1,1,1-trichloroethane	8182.67
2-aminoethanol	1789.41
morpholine-4-carbaldehyde	4940.97
sulfolane	9321.6
2,2,4-trimethylpentane	175.98
2-methyltetrahydrofuran	9369.25
n-hexyl acetate	2293.69
isooctane	158.14
2-(2-butoxyethoxy)ethanol	1800.84
sec-butyl acetate	1946.07
tert-butyl acetate	2795.48
decalin	389.18
glycerin	1128.14
diglyme	3994.56
acrylic acid	2921.05
isopropyl myristate	653.85
n-butyric acid	6821.42
acetyl acetate	2540.94
di(2-ethylhexyl) phthalate	501.93
ethyl propionate	2434.1
nitromethane	8878.78
1,2-diethoxyethane	3595.3
benzonitrile	3590.79
trioctyl phosphate	406.77
1-bromopropane	4156.05
gamma-valerolactone	11130.03
n-decanol	471.23
triethyl phosphate	623.87
4-methyl-2-pentanol	1179.57
propionitrile	4375.64
vinylene carbonate	3817.37
1,1,2-trichlorotrifluoroethane	5050.89
DMS	1301.06
cumene	564.28
2-octanol	720.6
2-hexanone	4100.64
octyl acetate	805.57
limonene	1312.62
1,2-dimethoxyethane	4986.95
ethyl orthosilicate	670.29
tributyl phosphate	599.58
diacetone alcohol	2911.13
N,N-dimethylaniline	894.11
acrylonitrile	5130.03
aniline	3324.25
1,3-propanediol	2762.25
bromobenzene	4298.5
dibromomethane	6533.69
1,1,2,2-tetrachloroethane	9661.87
2-methyl-cyclohexyl acetate	1402.04
tetrabutyl urea	749.03
diisobutyl methanol	895.51
2-phenylethanol	1758.73
styrene	1629.25
dioctyl adipate	922.16
dimethyl sulfate	1346.89
ethyl butyrate	2612.85
methyl lactate	1093.61
butyl lactate	1353.86
diethyl carbonate	1195.5
propanediol butyl ether	1490.54
triethyl orthoformate	1396.15
p-tert-butyltoluene	599.28
methyl 4-tert-butylbenzoate	1024.72
morpholine	9818.25
tert-butylamine	3213.96
n-dodecanol	333.85
dimethoxymethane	3297.92
ethylene carbonate	3376.59
cyrene	992.99
2-ethoxyethyl acetate	2399.87
2-ethylhexyl acetate	2535.27
1,2,4-trichlorobenzene	3350.97
4-methylpyridine	7811.99
dibutyl ether	1829.77
2,6-dimethyl-4-heptanol	895.51
DEF	4735.22
dimethyl isosorbide	2142.2
tetrachloroethylene	6643.04
eugenol	1021.56
triacetin	1454.2
span 80	1228.8
1,4-butanediol	948.75
1,1-dichloroethane	8377.55
2-methyl-1-pentanol	1968.57
methyl formate	2929.71
2-methyl-1-butanol	3039.47
n-decane	140.23
butyronitrile	5683.1
3,7-dimethyl-1-octanol	956.89
1-chlorooctane	754.05
1-chlorotetradecane	212.57
n-nonane	163.81
undecane	88.72
tert-butylcyclohexane	300.99
cyclooctane	408.21
cyclopentanol	5206.44
tetrahydropyran	11949.96
tert-amyl methyl ether	2100.61
2,5,8-trioxanonane	1920.63
1-hexene	2545.61
2-isopropoxyethanol	1739.93
2,2,2-trifluoroethanol	1136.28
methyl butyrate	4050.07

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