Molecular formula
C7H14OS

SMILES
C[C@@H]1C[C@H](S[C@H](O1)C)C

Fragrance
Fruity	68.27%
Green	68.16%
Tropical	54.17%
Sulfurous	52.52%
Woody	41.05%
Onion	38.78%
Vegetable	37.4%
Floral	36.6%
Sweet	35.2%
Herbal	30.06%

 

Flavor
Green	69.13%
Vegetable	48.99%
Sulfurous	41.96%
Earthy	37.89%
Tropical	35.78%
Roasted	32.67%
Potato	27.64%
Nutty	26.37%
Meaty	24.62%
Raw	24.17%

 

Odor impact est.
High

XLogP3-AA
2.3

pKa est.
6.15 (neutral)

Molecular weight
146.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very fast

Boiling point est.
173°C

Flash point

• 46.48 ˚C est.

(2S,4R,6R)-2,4,6-trimethyl-1,3-oxathiane is a chiral oxathiane derivative primarily used as a synthetic intermediate and building block in organic synthesis, notably serving as a chiral auxiliary to influence stereochemistry and as a cyclic protecting-style scaffold for masked carbonyl functionality in multi-step sequences. It can serve as a precursor to sulfur- and oxygen-containing ligands or organocatalysts for catalytic transformations and as a scaffold for preparing enantioenriched intermediates in pharmaceutical and fine-chemical manufacturing. In fragrance chemistry, such heterocyclic compounds are sometimes evaluated as odorants or fragrance intermediates, while materials researchers may explore them as specialty monomer units or functional additives in polymers and coatings, subject to formulation constraints and regulatory requirements.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1858.5
methanol	1804.42
isopropanol	1135.01
water	10.39
ethyl acetate	1400.38
n-propanol	1351.63
acetone	1604.42
n-butanol	1148.38
acetonitrile	1394.05
DMF	752.08
toluene	884.31
isobutanol	818.28
1,4-dioxane	2483.18
methyl acetate	1198.98
THF	2517.28
2-butanone	1230.4
n-pentanol	714.48
sec-butanol	963.71
n-hexane	249.09
ethylene glycol	324.41
NMP	1181.04
cyclohexane	574.05
DMSO	1055.51
n-butyl acetate	1249.58
n-octanol	574.03
chloroform	3444.36
n-propyl acetate	653.87
acetic acid	1728.3
dichloromethane	2611.62
cyclohexanone	1943.3
propylene glycol	432.04
isopropyl acetate	714.1
DMAc	725.01
2-ethoxyethanol	861.96
isopentanol	799.33
n-heptane	299.23
ethyl formate	769.54
1,2-dichloroethane	1300.78
n-hexanol	1305.38
2-methoxyethanol	1376.77
isobutyl acetate	405.34
tetrachloromethane	773.02
n-pentyl acetate	715.76
transcutol	2876.56
n-heptanol	502.61
ethylbenzene	264.11
MIBK	514.84
2-propoxyethanol	1506.22
tert-butanol	1064.72
MTBE	1055.46
2-butoxyethanol	672.7
propionic acid	1033.91
o-xylene	422.61
formic acid	527.22
diethyl ether	1532.01
m-xylene	482.03
p-xylene	339.1
chlorobenzene	1009.29
dimethyl carbonate	266.99
n-octane	88.66
formamide	492.7
cyclopentanone	1577.49
2-pentanone	992.97
anisole	509.82
cyclopentyl methyl ether	1302.68
gamma-butyrolactone	1718.6
1-methoxy-2-propanol	953.34
pyridine	1467.94
3-pentanone	813.6
furfural	1337.31
n-dodecane	67.55
diethylene glycol	947.84
diisopropyl ether	412.1
tert-amyl alcohol	838.91
acetylacetone	924.88
n-hexadecane	78.69
acetophenone	417.74
methyl propionate	792.29
isopentyl acetate	860.22
trichloroethylene	2340.47
n-nonanol	450.63
cyclohexanol	1233.09
benzyl alcohol	436.88
2-ethylhexanol	652.6
isooctanol	354.74
dipropyl ether	823.02
1,2-dichlorobenzene	709.59
ethyl lactate	230.5
propylene carbonate	917.21
n-methylformamide	667.57
2-pentanol	722.85
n-pentane	295.46
1-propoxy-2-propanol	1073.28
1-methoxy-2-propyl acetate	897.21
2-(2-methoxypropoxy) propanol	525.98
mesitylene	294.22
ε-caprolactone	1607.75
p-cymene	267.65
epichlorohydrin	1739.1
1,1,1-trichloroethane	1615.2
2-aminoethanol	623.59
morpholine-4-carbaldehyde	1398.4
sulfolane	1390.56
2,2,4-trimethylpentane	119.74
2-methyltetrahydrofuran	2295.12
n-hexyl acetate	979.64
isooctane	92.04
2-(2-butoxyethoxy)ethanol	824.47
sec-butyl acetate	412.9
tert-butyl acetate	642.37
decalin	155.79
glycerin	495.01
diglyme	1328.91
acrylic acid	777.28
isopropyl myristate	323.67
n-butyric acid	1288.17
acetyl acetate	908.12
di(2-ethylhexyl) phthalate	266.34
ethyl propionate	448.54
nitromethane	1637.92
1,2-diethoxyethane	1195.32
benzonitrile	718.82
trioctyl phosphate	209.33
1-bromopropane	1097.05
gamma-valerolactone	2007.55
n-decanol	307.03
triethyl phosphate	237.65
4-methyl-2-pentanol	359.64
propionitrile	898.62
vinylene carbonate	860.29
1,1,2-trichlorotrifluoroethane	1071.71
DMS	490.64
cumene	183.99
2-octanol	351.84
2-hexanone	634.66
octyl acetate	429.92
limonene	528.37
1,2-dimethoxyethane	1090.08
ethyl orthosilicate	253.51
tributyl phosphate	273.57
diacetone alcohol	606.12
N,N-dimethylaniline	294.6
acrylonitrile	838.03
aniline	826.87
1,3-propanediol	836.46
bromobenzene	1063.14
dibromomethane	1938.27
1,1,2,2-tetrachloroethane	1722.49
2-methyl-cyclohexyl acetate	467.42
tetrabutyl urea	317.0
diisobutyl methanol	296.52
2-phenylethanol	624.22
styrene	356.55
dioctyl adipate	392.23
dimethyl sulfate	331.19
ethyl butyrate	600.64
methyl lactate	320.58
butyl lactate	417.75
diethyl carbonate	345.76
propanediol butyl ether	606.32
triethyl orthoformate	434.41
p-tert-butyltoluene	255.49
methyl 4-tert-butylbenzoate	421.95
morpholine	2400.08
tert-butylamine	730.17
n-dodecanol	229.2
dimethoxymethane	764.09
ethylene carbonate	791.73
cyrene	401.42
2-ethoxyethyl acetate	947.45
2-ethylhexyl acetate	735.94
1,2,4-trichlorobenzene	857.63
4-methylpyridine	1395.88
dibutyl ether	674.85
2,6-dimethyl-4-heptanol	296.52
DEF	834.18
dimethyl isosorbide	858.54
tetrachloroethylene	1259.14
eugenol	372.5
triacetin	638.05
span 80	544.14
1,4-butanediol	317.67
1,1-dichloroethane	1606.21
2-methyl-1-pentanol	531.84
methyl formate	526.63
2-methyl-1-butanol	791.58
n-decane	129.2
butyronitrile	1021.51
3,7-dimethyl-1-octanol	482.68
1-chlorooctane	437.3
1-chlorotetradecane	163.01
n-nonane	138.81
undecane	88.47
tert-butylcyclohexane	138.85
cyclooctane	202.0
cyclopentanol	1084.23
tetrahydropyran	2524.32
tert-amyl methyl ether	763.89
2,5,8-trioxanonane	850.35
1-hexene	566.21
2-isopropoxyethanol	610.95
2,2,2-trifluoroethanol	495.23
methyl butyrate	562.78

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