Molecular formula
C9H18OS

SMILES
CCCCC1OCCC(S1)C

Fragrance
Fruity	86.83%
Green	72.55%
Tropical	72.02%
Sulfurous	56.75%
Onion	49.71%
Woody	44.92%
Herbal	41.91%
Spicy	38.3%
Black currant	37.7%
Vegetable	36.17%

 

Flavor
Green	77.22%
Tropical	52.64%
Vegetable	40.86%
Pineapple	34.83%
Sulfurous	33.63%
Metallic	32.35%
Herbal	29.71%
Earthy	28.39%
Roasted	26.97%
Pepper	25.61%

 

Odor impact est.
High

XLogP3-AA
3.2

pKa est.
5.61 (weak acid)

Molecular weight
174.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
229°C

Flash point

• 86.13 ˚C est.

• SCHEMBL2676606

2-Butyl-4-methyl-1,3-oxathiane is typically viewed as a fragrance ingredient and as an intermediate in the synthesis of aroma compounds. In the cosmetics and personal care sector, it may be used as a fragrance additive to influence scent diffusion and lasting power. In household products and cleaning formulations, it may serve as a supporting fragrance component. In industrial manufacturing, it is considered a precursor or intermediate for aroma-chemical synthesis and related specialty materials. It could also be evaluated as an additive for plastics, materials, and coatings to impart odor characteristics. Its exact role depends on local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3829.63
methanol	2409.17
isopropanol	3404.86
water	0.59
ethyl acetate	2782.33
n-propanol	3265.05
acetone	3791.22
n-butanol	3078.78
acetonitrile	2839.72
DMF	2108.21
toluene	1779.45
isobutanol	2528.73
1,4-dioxane	5378.32
methyl acetate	2196.33
THF	5519.51
2-butanone	2711.75
n-pentanol	1925.93
sec-butanol	2521.78
n-hexane	445.43
ethylene glycol	398.27
NMP	1468.63
cyclohexane	1525.33
DMSO	3099.34
n-butyl acetate	3353.52
n-octanol	1083.78
chloroform	9035.45
n-propyl acetate	1842.93
acetic acid	2466.44
dichloromethane	6274.0
cyclohexanone	4531.87
propylene glycol	801.68
isopropyl acetate	1689.04
DMAc	1254.03
2-ethoxyethanol	1827.35
isopentanol	2340.53
n-heptane	578.17
ethyl formate	1967.88
1,2-dichloroethane	3523.89
n-hexanol	2859.16
2-methoxyethanol	2671.53
isobutyl acetate	1129.15
tetrachloromethane	1560.69
n-pentyl acetate	1560.83
transcutol	5318.89
n-heptanol	1016.81
ethylbenzene	705.19
MIBK	1255.02
2-propoxyethanol	2821.45
tert-butanol	3235.86
MTBE	2445.09
2-butoxyethanol	1424.54
propionic acid	2001.65
o-xylene	817.27
formic acid	422.56
diethyl ether	2875.65
m-xylene	959.85
p-xylene	917.78
chlorobenzene	2452.45
dimethyl carbonate	427.62
n-octane	190.47
formamide	553.67
cyclopentanone	3338.87
2-pentanone	2348.58
anisole	1169.26
cyclopentyl methyl ether	2470.68
gamma-butyrolactone	3131.97
1-methoxy-2-propanol	2096.51
pyridine	4404.21
3-pentanone	1453.8
furfural	3076.95
n-dodecane	131.88
diethylene glycol	1433.82
diisopropyl ether	786.39
tert-amyl alcohol	2056.63
acetylacetone	1984.38
n-hexadecane	156.32
acetophenone	1062.41
methyl propionate	1554.32
isopentyl acetate	2364.31
trichloroethylene	6101.39
n-nonanol	849.1
cyclohexanol	3063.21
benzyl alcohol	1121.81
2-ethylhexanol	1542.07
isooctanol	802.08
dipropyl ether	1919.32
1,2-dichlorobenzene	1755.88
ethyl lactate	547.95
propylene carbonate	2249.51
n-methylformamide	1277.27
2-pentanol	2050.1
n-pentane	519.78
1-propoxy-2-propanol	2295.39
1-methoxy-2-propyl acetate	1707.26
2-(2-methoxypropoxy) propanol	960.31
mesitylene	604.62
ε-caprolactone	3473.7
p-cymene	583.41
epichlorohydrin	4038.57
1,1,1-trichloroethane	4415.3
2-aminoethanol	1009.87
morpholine-4-carbaldehyde	2298.87
sulfolane	2756.66
2,2,4-trimethylpentane	204.5
2-methyltetrahydrofuran	4336.76
n-hexyl acetate	1825.21
isooctane	183.36
2-(2-butoxyethoxy)ethanol	1508.45
sec-butyl acetate	1114.62
tert-butyl acetate	1516.45
decalin	333.95
glycerin	790.48
diglyme	3034.74
acrylic acid	1370.92
isopropyl myristate	647.5
n-butyric acid	3607.86
acetyl acetate	1505.35
di(2-ethylhexyl) phthalate	504.46
ethyl propionate	1123.6
nitromethane	2775.13
1,2-diethoxyethane	2528.75
benzonitrile	2232.94
trioctyl phosphate	418.31
1-bromopropane	2917.56
gamma-valerolactone	4125.47
n-decanol	589.38
triethyl phosphate	525.38
4-methyl-2-pentanol	929.78
propionitrile	2622.8
vinylene carbonate	2149.38
1,1,2-trichlorotrifluoroethane	2530.78
DMS	879.93
cumene	415.38
2-octanol	772.91
2-hexanone	1727.58
octyl acetate	805.05
limonene	1091.05
1,2-dimethoxyethane	3018.96
ethyl orthosilicate	561.46
tributyl phosphate	560.06
diacetone alcohol	1324.77
N,N-dimethylaniline	629.62
acrylonitrile	2328.97
aniline	1933.82
1,3-propanediol	1715.17
bromobenzene	2736.83
dibromomethane	4944.44
1,1,2,2-tetrachloroethane	4951.39
2-methyl-cyclohexyl acetate	1033.8
tetrabutyl urea	633.52
diisobutyl methanol	813.46
2-phenylethanol	1283.73
styrene	1049.14
dioctyl adipate	836.32
dimethyl sulfate	521.01
ethyl butyrate	1769.59
methyl lactate	591.37
butyl lactate	988.92
diethyl carbonate	993.65
propanediol butyl ether	1203.73
triethyl orthoformate	1178.25
p-tert-butyltoluene	556.36
methyl 4-tert-butylbenzoate	808.88
morpholine	5538.57
tert-butylamine	2143.26
n-dodecanol	448.14
dimethoxymethane	1562.11
ethylene carbonate	2137.16
cyrene	728.44
2-ethoxyethyl acetate	1660.55
2-ethylhexyl acetate	1794.94
1,2,4-trichlorobenzene	1954.87
4-methylpyridine	3643.12
dibutyl ether	1713.54
2,6-dimethyl-4-heptanol	813.46
DEF	1899.75
dimethyl isosorbide	1445.76
tetrachloroethylene	3257.04
eugenol	757.03
triacetin	1223.05
span 80	1091.18
1,4-butanediol	706.48
1,1-dichloroethane	4588.1
2-methyl-1-pentanol	1338.57
methyl formate	1004.31
2-methyl-1-butanol	2009.25
n-decane	259.72
butyronitrile	3421.55
3,7-dimethyl-1-octanol	984.26
1-chlorooctane	881.93
1-chlorotetradecane	308.75
n-nonane	280.18
undecane	174.5
tert-butylcyclohexane	273.39
cyclooctane	401.66
cyclopentanol	2660.26
tetrahydropyran	6366.09
tert-amyl methyl ether	1393.89
2,5,8-trioxanonane	1565.11
1-hexene	1370.1
2-isopropoxyethanol	1292.72
2,2,2-trifluoroethanol	620.18
methyl butyrate	1834.22

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