Molecular formula
C10H20O3S

SMILES
CCCC(CCOC)SC(=O)OCC

Fragrance
Sulfurous	70.86%
Herbal	57.38%
Tropical	56.25%
Fruity	42.17%
Spicy	40.32%
Green	39.55%
Onion	39.49%
Black currant	39.02%
Vegetable	35.26%
Grapefruit	33.95%

 

Flavor
Fruity	61.01%
Tropical	51.4%
Green	44.25%
Sulfury	43.31%
Sulfurous	39.41%
Pineapple	33.96%
Vegetable	31.24%
Ripe	28.21%
Tomato	26.93%
Onion	25.84%

 

Odor impact est.
Medium

XLogP3-AA
3.0

pKa est.
7.26 (neutral)

Molecular weight
220.33 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
255°C

Flash point

• 95.3 ˚C est.

• SCHEMBL585432

Ethyl 1-methoxyhexan-3-ylsulfanylformate may be used as a synthetic intermediate and a specialty solvent in chemical manufacturing. In fragrance chemistry it serves as a precursor for sulfur-containing fragrance ingredients; in cosmetics and personal care it is commonly evaluated for inclusion as a fragrance component or fragrance intermediate. In industrial manufacturing it can function as a building block for sulfur-containing compounds and as a processing aid. For polymers and plastics it can serve as a sulfur-containing monomer precursor or additive for specialty polymers. In pharmaceutical research it is often evaluated as an organic synthesis intermediate for sulfur-containing compounds. In coatings and inks it may be used as a reactive intermediate or solvent component in formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	2240.65
methanol	2818.3
isopropanol	1658.8
water	0.77
ethyl acetate	1856.3
n-propanol	1651.57
acetone	4015.17
n-butanol	1430.56
acetonitrile	2065.84
DMF	4640.44
toluene	952.41
isobutanol	1161.3
1,4-dioxane	2654.61
methyl acetate	1628.0
THF	3752.95
2-butanone	2017.18
n-pentanol	905.87
sec-butanol	1306.3
n-hexane	65.44
ethylene glycol	429.62
NMP	3754.49
cyclohexane	318.16
DMSO	5012.63
n-butyl acetate	1195.85
n-octanol	330.78
chloroform	5228.57
n-propyl acetate	1014.17
acetic acid	3205.77
dichloromethane	4387.78
cyclohexanone	4294.43
propylene glycol	668.97
isopropyl acetate	993.97
DMAc	2244.15
2-ethoxyethanol	1266.04
isopentanol	1022.17
n-heptane	43.59
ethyl formate	1322.81
1,2-dichloroethane	3220.08
n-hexanol	778.45
2-methoxyethanol	2536.83
isobutyl acetate	562.07
tetrachloromethane	651.25
n-pentyl acetate	780.06
transcutol	3206.22
n-heptanol	303.58
ethylbenzene	374.69
MIBK	852.7
2-propoxyethanol	1231.22
tert-butanol	1774.0
MTBE	1203.08
2-butoxyethanol	649.76
propionic acid	1571.3
o-xylene	526.12
formic acid	906.05
diethyl ether	1384.93
m-xylene	578.93
p-xylene	524.19
chlorobenzene	1759.3
dimethyl carbonate	521.87
n-octane	21.86
formamide	1399.72
cyclopentanone	3957.46
2-pentanone	1808.03
anisole	798.25
cyclopentyl methyl ether	1764.51
gamma-butyrolactone	4038.09
1-methoxy-2-propanol	1686.36
pyridine	3004.25
3-pentanone	1173.05
furfural	3384.49
n-dodecane	19.6
diethylene glycol	993.11
diisopropyl ether	301.85
tert-amyl alcohol	1246.47
acetylacetone	1886.61
n-hexadecane	24.31
acetophenone	947.47
methyl propionate	1314.88
isopentyl acetate	957.14
trichloroethylene	6536.96
n-nonanol	280.49
cyclohexanol	1956.54
benzyl alcohol	862.43
2-ethylhexanol	435.67
isooctanol	245.8
dipropyl ether	411.19
1,2-dichlorobenzene	1396.82
ethyl lactate	419.28
propylene carbonate	1985.49
n-methylformamide	2143.61
2-pentanol	930.03
n-pentane	81.65
1-propoxy-2-propanol	880.94
1-methoxy-2-propyl acetate	1036.67
2-(2-methoxypropoxy) propanol	574.03
mesitylene	336.05
ε-caprolactone	2776.85
p-cymene	232.75
epichlorohydrin	3911.55
1,1,1-trichloroethane	3027.41
2-aminoethanol	913.54
morpholine-4-carbaldehyde	2980.46
sulfolane	4815.66
2,2,4-trimethylpentane	50.75
2-methyltetrahydrofuran	2675.64
n-hexyl acetate	960.48
isooctane	36.02
2-(2-butoxyethoxy)ethanol	889.99
sec-butyl acetate	620.6
tert-butyl acetate	1041.05
decalin	97.29
glycerin	855.29
diglyme	1748.67
acrylic acid	1507.94
isopropyl myristate	285.88
n-butyric acid	2321.28
acetyl acetate	1152.53
di(2-ethylhexyl) phthalate	309.15
ethyl propionate	754.07
nitromethane	5098.09
1,2-diethoxyethane	996.97
benzonitrile	1468.19
trioctyl phosphate	217.31
1-bromopropane	1404.88
gamma-valerolactone	4288.31
n-decanol	194.28
triethyl phosphate	311.78
4-methyl-2-pentanol	376.56
propionitrile	1377.91
vinylene carbonate	1930.3
1,1,2-trichlorotrifluoroethane	2868.25
DMS	757.5
cumene	213.88
2-octanol	242.67
2-hexanone	1002.14
octyl acetate	387.71
limonene	417.27
1,2-dimethoxyethane	1973.89
ethyl orthosilicate	294.8
tributyl phosphate	301.8
diacetone alcohol	1142.44
N,N-dimethylaniline	492.03
acrylonitrile	1852.35
aniline	1256.8
1,3-propanediol	1294.69
bromobenzene	1900.31
dibromomethane	2857.49
1,1,2,2-tetrachloroethane	4950.64
2-methyl-cyclohexyl acetate	563.91
tetrabutyl urea	404.12
diisobutyl methanol	245.1
2-phenylethanol	722.27
styrene	580.0
dioctyl adipate	462.13
dimethyl sulfate	1026.67
ethyl butyrate	651.24
methyl lactate	654.22
butyl lactate	590.78
diethyl carbonate	436.46
propanediol butyl ether	796.62
triethyl orthoformate	440.78
p-tert-butyltoluene	223.85
methyl 4-tert-butylbenzoate	663.29
morpholine	3647.98
tert-butylamine	898.82
n-dodecanol	142.83
dimethoxymethane	1542.1
ethylene carbonate	1614.67
cyrene	746.39
2-ethoxyethyl acetate	972.92
2-ethylhexyl acetate	731.76
1,2,4-trichlorobenzene	1665.65
4-methylpyridine	2835.44
dibutyl ether	451.38
2,6-dimethyl-4-heptanol	245.1
DEF	1879.57
dimethyl isosorbide	1112.59
tetrachloroethylene	2986.72
eugenol	657.57
triacetin	885.94
span 80	648.32
1,4-butanediol	508.92
1,1-dichloroethane	3236.77
2-methyl-1-pentanol	704.9
methyl formate	1636.73
2-methyl-1-butanol	985.93
n-decane	36.31
butyronitrile	1673.17
3,7-dimethyl-1-octanol	351.11
1-chlorooctane	258.45
1-chlorotetradecane	87.44
n-nonane	35.21
undecane	25.13
tert-butylcyclohexane	73.45
cyclooctane	69.95
cyclopentanol	1824.01
tetrahydropyran	3352.58
tert-amyl methyl ether	790.74
2,5,8-trioxanonane	1019.87
1-hexene	372.67
2-isopropoxyethanol	773.76
2,2,2-trifluoroethanol	875.52
methyl butyrate	1192.52

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