Molecular formula
C8H16OS

SMILES
CCCCCCC(C=O)S

Fragrance
Green	72.87%
Citrus	72.12%
Fruity	70.31%
Grapefruit	57.35%
Fatty	48.19%
Tropical	47.89%
Fresh	39.41%
Meaty	35.97%
Sulfurous	32.88%
Herbal	32.58%

 

Flavor
Green	46.76%
Sulfurous	33.36%
Fatty	31.42%
Metallic	29.18%
Sulfury	28.2%
Meaty	23.39%
Mushroom	23.09%
Herbal	22.68%
Onion	22.66%
Earthy	22.34%

 

Odor impact est.
High

XLogP3-AA
3.0

pKa est.
7.28 (neutral)

Molecular weight
160.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
229°C

Flash point

• 81.54 ˚C est.

2-Sulfanyloctanal is an organosulfur aldehyde that is commonly viewed as a synthetic intermediate and fragrance ingredient; it can be used as an odorant in perfumery and as a building block to generate thioethers and thioesters for sulfur-containing derivatives in chemical synthesis; in cosmetics and personal care it may serve as a fragrance component or a thiol-based linking agent; in industrial manufacturing, coatings/inks, and polymers/plastics it can be used as a reactive intermediate or crosslinking building block to form polymer networks or coatings via thiol-ene chemistry or related sulfur transformations; in the food/flavor domain it may be evaluated as a flavor precursor under controlled conditions; overall use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1533.36
methanol	1752.34
isopropanol	1156.16
water	0.23
ethyl acetate	1210.43
n-propanol	1113.01
acetone	3273.41
n-butanol	1044.2
acetonitrile	945.68
DMF	1689.92
toluene	411.83
isobutanol	797.29
1,4-dioxane	1505.95
methyl acetate	1014.75
THF	2868.92
2-butanone	1665.87
n-pentanol	701.18
sec-butanol	852.07
n-hexane	147.03
ethylene glycol	197.45
NMP	1200.93
cyclohexane	192.81
DMSO	2380.28
n-butyl acetate	1166.48
n-octanol	233.81
chloroform	1704.22
n-propyl acetate	915.46
acetic acid	1185.65
dichloromethane	1430.66
cyclohexanone	2081.67
propylene glycol	328.94
isopropyl acetate	746.64
DMAc	821.44
2-ethoxyethanol	841.9
isopentanol	864.84
n-heptane	68.07
ethyl formate	613.59
1,2-dichloroethane	1334.23
n-hexanol	771.17
2-methoxyethanol	1471.12
isobutyl acetate	543.79
tetrachloromethane	355.18
n-pentyl acetate	501.79
transcutol	3122.14
n-heptanol	256.05
ethylbenzene	216.43
MIBK	752.3
2-propoxyethanol	1077.5
tert-butanol	1354.61
MTBE	1134.52
2-butoxyethanol	509.91
propionic acid	797.58
o-xylene	231.19
formic acid	317.1
diethyl ether	1295.78
m-xylene	293.28
p-xylene	294.27
chlorobenzene	636.67
dimethyl carbonate	200.5
n-octane	24.08
formamide	474.33
cyclopentanone	2298.43
2-pentanone	1550.38
anisole	462.93
cyclopentyl methyl ether	1155.59
gamma-butyrolactone	1836.56
1-methoxy-2-propanol	1101.03
pyridine	1373.87
3-pentanone	775.7
furfural	1423.86
n-dodecane	14.85
diethylene glycol	704.01
diisopropyl ether	311.86
tert-amyl alcohol	890.22
acetylacetone	1242.69
n-hexadecane	17.96
acetophenone	464.55
methyl propionate	712.56
isopentyl acetate	876.87
trichloroethylene	2421.52
n-nonanol	193.12
cyclohexanol	879.76
benzyl alcohol	426.79
2-ethylhexanol	401.44
isooctanol	208.28
dipropyl ether	525.04
1,2-dichlorobenzene	536.45
ethyl lactate	254.98
propylene carbonate	896.37
n-methylformamide	851.89
2-pentanol	664.47
n-pentane	94.35
1-propoxy-2-propanol	846.82
1-methoxy-2-propyl acetate	796.05
2-(2-methoxypropoxy) propanol	441.21
mesitylene	193.08
ε-caprolactone	1299.28
p-cymene	144.82
epichlorohydrin	1821.44
1,1,1-trichloroethane	1353.13
2-aminoethanol	468.51
morpholine-4-carbaldehyde	1148.28
sulfolane	1984.97
2,2,4-trimethylpentane	46.25
2-methyltetrahydrofuran	1969.48
n-hexyl acetate	587.85
isooctane	43.59
2-(2-butoxyethoxy)ethanol	669.86
sec-butyl acetate	554.89
tert-butyl acetate	822.82
decalin	69.91
glycerin	408.75
diglyme	1310.71
acrylic acid	637.77
isopropyl myristate	187.95
n-butyric acid	1284.36
acetyl acetate	585.04
di(2-ethylhexyl) phthalate	172.86
ethyl propionate	540.68
nitromethane	1812.86
1,2-diethoxyethane	966.63
benzonitrile	632.65
trioctyl phosphate	132.16
1-bromopropane	808.58
gamma-valerolactone	2090.57
n-decanol	133.31
triethyl phosphate	186.9
4-methyl-2-pentanol	342.3
propionitrile	774.97
vinylene carbonate	712.78
1,1,2-trichlorotrifluoroethane	1177.23
DMS	421.02
cumene	141.09
2-octanol	188.0
2-hexanone	1076.84
octyl acetate	227.85
limonene	247.9
1,2-dimethoxyethane	1404.4
ethyl orthosilicate	200.63
tributyl phosphate	188.08
diacetone alcohol	819.92
N,N-dimethylaniline	261.33
acrylonitrile	889.29
aniline	555.76
1,3-propanediol	760.2
bromobenzene	645.5
dibromomethane	1094.11
1,1,2,2-tetrachloroethane	1704.06
2-methyl-cyclohexyl acetate	389.23
tetrabutyl urea	232.24
diisobutyl methanol	242.34
2-phenylethanol	461.56
styrene	316.44
dioctyl adipate	280.5
dimethyl sulfate	370.33
ethyl butyrate	556.86
methyl lactate	297.67
butyl lactate	394.58
diethyl carbonate	302.31
propanediol butyl ether	527.21
triethyl orthoformate	349.2
p-tert-butyltoluene	145.9
methyl 4-tert-butylbenzoate	338.82
morpholine	1962.8
tert-butylamine	799.55
n-dodecanol	97.31
dimethoxymethane	859.31
ethylene carbonate	608.35
cyrene	390.83
2-ethoxyethyl acetate	685.5
2-ethylhexyl acetate	634.93
1,2,4-trichlorobenzene	639.06
4-methylpyridine	1219.99
dibutyl ether	396.01
2,6-dimethyl-4-heptanol	242.34
DEF	953.5
dimethyl isosorbide	716.76
tetrachloroethylene	1276.19
eugenol	349.75
triacetin	503.88
span 80	433.13
1,4-butanediol	285.31
1,1-dichloroethane	1499.18
2-methyl-1-pentanol	559.35
methyl formate	589.15
2-methyl-1-butanol	712.4
n-decane	30.24
butyronitrile	986.94
3,7-dimethyl-1-octanol	269.55
1-chlorooctane	163.9
1-chlorotetradecane	53.87
n-nonane	32.27
undecane	20.05
tert-butylcyclohexane	69.03
cyclooctane	48.48
cyclopentanol	949.46
tetrahydropyran	2110.1
tert-amyl methyl ether	602.63
2,5,8-trioxanonane	718.0
1-hexene	569.02
2-isopropoxyethanol	600.96
2,2,2-trifluoroethanol	311.11
methyl butyrate	853.73

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