Molecular formula
C11H20OS

SMILES
CC1CCOC(S1)C2CCCCC2

Fragrance
Woody	65.01%
Tropical	63.51%
Herbal	56.0%
Fruity	53.81%
Sulfurous	48.52%
Onion	45.93%
Green	43.97%
Grapefruit	38.85%
Citrus	37.06%
Black currant	35.27%

 

Flavor
Roasted	31.63%
Sulfurous	29.22%
Animal	26.09%
Green	25.47%
Alkaline	25.0%
Vegetable	24.76%
Shrimp	24.02%
Tropical	23.82%
Bouillon	22.7%
Cauliflower	22.55%

 

Odor impact est.
High

XLogP3-AA
3.8

pKa est.
5.0 (weak acid)

Molecular weight
200.34 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
277°C

Flash point

• 111.13 ˚C est.

• SCHEMBL2678533

2-Cyclohexyl-4-methyl-1,3-oxathiane is a cyclic sulfur- and oxygen-containing thioether scaffold primarily used as a synthetic intermediate in organic chemistry. In industrial manufacturing, it often serves as a building block to access sulfur-containing heterocycles and complex derivatives for pharmaceutical and agrochemical research. In fragrance and cosmetics, oxathiane derivatives of this type may be evaluated as odor-active intermediates or scaffolds for fragrance design and could function as fixatives in formulations. In polymer and coating technologies, the thioether ring can be incorporated as a structural unit or precursor for specialty polymers and crosslinkable materials. Additionally, it is commonly explored as a precursor in medicinal chemistry libraries to diversify sulfur-containing heterocyclic frameworks.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1208.89
methanol	614.83
isopropanol	1180.77
water	0.27
ethyl acetate	1286.37
n-propanol	1195.03
acetone	1914.18
n-butanol	1140.34
acetonitrile	1211.17
DMF	1235.8
toluene	1173.5
isobutanol	976.51
1,4-dioxane	2549.66
methyl acetate	1139.25
THF	3146.71
2-butanone	1477.86
n-pentanol	732.65
sec-butanol	964.32
n-hexane	146.55
ethylene glycol	131.45
NMP	1055.84
cyclohexane	695.46
DMSO	1692.79
n-butyl acetate	1652.76
n-octanol	588.76
chloroform	6059.03
n-propyl acetate	989.57
acetic acid	1020.1
dichloromethane	4456.57
cyclohexanone	2795.94
propylene glycol	288.51
isopropyl acetate	864.42
DMAc	722.69
2-ethoxyethanol	747.41
isopentanol	960.56
n-heptane	242.97
ethyl formate	1142.85
1,2-dichloroethane	2327.61
n-hexanol	1073.72
2-methoxyethanol	1088.59
isobutyl acetate	659.92
tetrachloromethane	901.02
n-pentyl acetate	968.99
transcutol	2825.8
n-heptanol	556.33
ethylbenzene	464.05
MIBK	739.36
2-propoxyethanol	1146.05
tert-butanol	1175.7
MTBE	981.74
2-butoxyethanol	775.5
propionic acid	974.72
o-xylene	582.16
formic acid	152.97
diethyl ether	1083.86
m-xylene	647.86
p-xylene	585.43
chlorobenzene	1796.28
dimethyl carbonate	310.47
n-octane	105.7
formamide	264.46
cyclopentanone	2517.9
2-pentanone	1230.55
anisole	759.54
cyclopentyl methyl ether	1340.45
gamma-butyrolactone	2406.43
1-methoxy-2-propanol	959.73
pyridine	2743.88
3-pentanone	824.51
furfural	2258.2
n-dodecane	87.01
diethylene glycol	611.29
diisopropyl ether	369.74
tert-amyl alcohol	807.2
acetylacetone	1248.01
n-hexadecane	104.43
acetophenone	817.62
methyl propionate	819.11
isopentyl acetate	1256.15
trichloroethylene	4485.81
n-nonanol	498.1
cyclohexanol	1451.91
benzyl alcohol	724.15
2-ethylhexanol	685.96
isooctanol	465.76
dipropyl ether	865.5
1,2-dichlorobenzene	1410.99
ethyl lactate	357.34
propylene carbonate	1646.09
n-methylformamide	703.57
2-pentanol	780.31
n-pentane	192.43
1-propoxy-2-propanol	1054.0
1-methoxy-2-propyl acetate	958.05
2-(2-methoxypropoxy) propanol	602.35
mesitylene	433.44
ε-caprolactone	2035.99
p-cymene	409.92
epichlorohydrin	2625.06
1,1,1-trichloroethane	2680.03
2-aminoethanol	343.66
morpholine-4-carbaldehyde	1361.82
sulfolane	2216.78
2,2,4-trimethylpentane	99.59
2-methyltetrahydrofuran	2164.35
n-hexyl acetate	1123.74
isooctane	91.7
2-(2-butoxyethoxy)ethanol	927.81
sec-butyl acetate	605.57
tert-butyl acetate	830.47
decalin	178.88
glycerin	331.5
diglyme	1801.66
acrylic acid	743.54
isopropyl myristate	456.25
n-butyric acid	1662.51
acetyl acetate	854.97
di(2-ethylhexyl) phthalate	366.49
ethyl propionate	642.04
nitromethane	1535.47
1,2-diethoxyethane	1278.41
benzonitrile	1509.87
trioctyl phosphate	308.25
1-bromopropane	1589.38
gamma-valerolactone	2671.22
n-decanol	361.56
triethyl phosphate	363.82
4-methyl-2-pentanol	443.01
propionitrile	1225.05
vinylene carbonate	1593.84
1,1,2-trichlorotrifluoroethane	1502.61
DMS	597.28
cumene	308.0
2-octanol	439.62
2-hexanone	902.96
octyl acetate	561.04
limonene	628.11
1,2-dimethoxyethane	1427.5
ethyl orthosilicate	365.33
tributyl phosphate	392.07
diacetone alcohol	751.0
N,N-dimethylaniline	423.34
acrylonitrile	1250.33
aniline	1149.15
1,3-propanediol	681.13
bromobenzene	2054.98
dibromomethane	3402.82
1,1,2,2-tetrachloroethane	3387.75
2-methyl-cyclohexyl acetate	682.06
tetrabutyl urea	452.22
diisobutyl methanol	448.83
2-phenylethanol	765.31
styrene	678.03
dioctyl adipate	615.56
dimethyl sulfate	416.47
ethyl butyrate	990.77
methyl lactate	398.23
butyl lactate	662.88
diethyl carbonate	606.67
propanediol butyl ether	690.98
triethyl orthoformate	669.06
p-tert-butyltoluene	378.86
methyl 4-tert-butylbenzoate	642.91
morpholine	2519.92
tert-butylamine	805.62
n-dodecanol	280.03
dimethoxymethane	859.51
ethylene carbonate	1514.01
cyrene	518.23
2-ethoxyethyl acetate	1050.93
2-ethylhexyl acetate	995.36
1,2,4-trichlorobenzene	1545.79
4-methylpyridine	2135.64
dibutyl ether	873.0
2,6-dimethyl-4-heptanol	448.83
DEF	948.35
dimethyl isosorbide	1029.43
tetrachloroethylene	2139.18
eugenol	561.43
triacetin	874.42
span 80	681.49
1,4-butanediol	291.78
1,1-dichloroethane	2663.86
2-methyl-1-pentanol	589.92
methyl formate	645.16
2-methyl-1-butanol	822.65
n-decane	152.85
butyronitrile	1539.95
3,7-dimethyl-1-octanol	566.96
1-chlorooctane	558.0
1-chlorotetradecane	212.89
n-nonane	157.38
undecane	110.75
tert-butylcyclohexane	140.47
cyclooctane	211.9
cyclopentanol	1315.02
tetrahydropyran	2942.57
tert-amyl methyl ether	617.22
2,5,8-trioxanonane	1004.81
1-hexene	474.05
2-isopropoxyethanol	569.82
2,2,2-trifluoroethanol	338.96
methyl butyrate	997.65

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