Molecular formula
C7H14OS

SMILES
CC1CCOC(S1)(C)C

Fragrance
Green	83.39%
Fruity	82.8%
Tropical	76.53%
Woody	69.22%
Sulfurous	68.12%
Herbal	58.13%
Black currant	46.31%
Grapefruit	38.33%
Vegetable	37.65%
Mint	37.65%

 

Flavor
Green	85.8%
Earthy	58.18%
Vegetable	57.7%
Sulfurous	47.81%
Tropical	32.61%
Potato	31.33%
Raw	31.24%
Burnt	29.97%
Roasted	28.27%
Tomato	27.53%

 

Odor impact est.
High

XLogP3-AA
2.0

pKa est.
6.61 (neutral)

Molecular weight
146.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very fast

Boiling point est.
176°C

Flash point

• 47.27 ˚C est.

• 2,2,4-Trimethyl-1,3-oxathiane
• SCHEMBL2679116
• ZOFGMEBDRQHDGV-UHFFFAOYSA-N

2,2,4-Trimethyl-1,3-oxathiane is used in fragrance and cosmetic formulations as an odorant and as an intermediate in the synthesis of more complex fragrance compounds; it may also function as a fixative to help extend fragrance notes in household and personal care products. In industrial manufacturing, it can serve as a building block for specialty chemicals and may be incorporated into coatings, inks, or adhesive formulations as a fragrance additive. Additionally, it may be considered for use in polymer and plastics processing where a specific scent or odor profile is desired.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1079.52
methanol	985.15
isopropanol	760.58
water	11.49
ethyl acetate	1063.39
n-propanol	869.57
acetone	955.76
n-butanol	769.21
acetonitrile	850.47
DMF	696.96
toluene	686.18
isobutanol	587.0
1,4-dioxane	1782.28
methyl acetate	932.04
THF	1754.02
2-butanone	906.3
n-pentanol	450.59
sec-butanol	689.53
n-hexane	167.08
ethylene glycol	238.45
NMP	984.29
cyclohexane	395.66
DMSO	614.61
n-butyl acetate	859.68
n-octanol	469.48
chloroform	2786.39
n-propyl acetate	462.13
acetic acid	1066.72
dichloromethane	1897.04
cyclohexanone	1344.93
propylene glycol	352.59
isopropyl acetate	579.38
DMAc	715.89
2-ethoxyethanol	646.8
isopentanol	559.6
n-heptane	223.76
ethyl formate	573.69
1,2-dichloroethane	932.27
n-hexanol	952.9
2-methoxyethanol	1031.37
isobutyl acetate	332.93
tetrachloromethane	664.34
n-pentyl acetate	542.18
transcutol	2126.44
n-heptanol	430.4
ethylbenzene	238.03
MIBK	405.2
2-propoxyethanol	1174.94
tert-butanol	800.4
MTBE	823.47
2-butoxyethanol	618.14
propionic acid	753.06
o-xylene	377.59
formic acid	354.54
diethyl ether	1029.17
m-xylene	421.95
p-xylene	325.19
chlorobenzene	812.1
dimethyl carbonate	268.46
n-octane	79.27
formamide	341.31
cyclopentanone	1162.89
2-pentanone	704.7
anisole	472.34
cyclopentyl methyl ether	973.27
gamma-butyrolactone	1348.45
1-methoxy-2-propanol	802.08
pyridine	1045.15
3-pentanone	630.56
furfural	1150.09
n-dodecane	64.32
diethylene glycol	794.86
diisopropyl ether	339.83
tert-amyl alcohol	662.02
acetylacetone	732.52
n-hexadecane	74.3
acetophenone	397.0
methyl propionate	701.87
isopentyl acetate	666.97
trichloroethylene	1821.62
n-nonanol	399.51
cyclohexanol	876.97
benzyl alcohol	372.02
2-ethylhexanol	527.26
isooctanol	304.27
dipropyl ether	650.7
1,2-dichlorobenzene	635.48
ethyl lactate	233.71
propylene carbonate	790.98
n-methylformamide	525.87
2-pentanol	540.55
n-pentane	203.64
1-propoxy-2-propanol	885.56
1-methoxy-2-propyl acetate	800.83
2-(2-methoxypropoxy) propanol	524.7
mesitylene	265.0
ε-caprolactone	1228.98
p-cymene	252.24
epichlorohydrin	1303.66
1,1,1-trichloroethane	1357.58
2-aminoethanol	460.42
morpholine-4-carbaldehyde	1181.7
sulfolane	1128.1
2,2,4-trimethylpentane	102.28
2-methyltetrahydrofuran	1520.48
n-hexyl acetate	798.15
isooctane	76.49
2-(2-butoxyethoxy)ethanol	754.56
sec-butyl acetate	345.48
tert-butyl acetate	589.76
decalin	133.88
glycerin	436.04
diglyme	1192.3
acrylic acid	612.07
isopropyl myristate	308.3
n-butyric acid	905.95
acetyl acetate	728.29
di(2-ethylhexyl) phthalate	253.1
ethyl propionate	392.08
nitromethane	1134.97
1,2-diethoxyethane	905.52
benzonitrile	591.27
trioctyl phosphate	200.17
1-bromopropane	760.69
gamma-valerolactone	1599.1
n-decanol	285.27
triethyl phosphate	246.0
4-methyl-2-pentanol	291.64
propionitrile	670.47
vinylene carbonate	762.77
1,1,2-trichlorotrifluoroethane	922.67
DMS	482.32
cumene	174.11
2-octanol	300.29
2-hexanone	468.12
octyl acetate	396.06
limonene	443.14
1,2-dimethoxyethane	823.29
ethyl orthosilicate	255.38
tributyl phosphate	258.03
diacetone alcohol	534.31
N,N-dimethylaniline	294.44
acrylonitrile	641.13
aniline	669.13
1,3-propanediol	596.73
bromobenzene	845.64
dibromomethane	1387.05
1,1,2,2-tetrachloroethane	1464.8
2-methyl-cyclohexyl acetate	424.67
tetrabutyl urea	288.66
diisobutyl methanol	257.35
2-phenylethanol	546.85
styrene	299.08
dioctyl adipate	365.68
dimethyl sulfate	341.59
ethyl butyrate	504.55
methyl lactate	334.62
butyl lactate	367.39
diethyl carbonate	336.6
propanediol butyl ether	540.15
triethyl orthoformate	408.06
p-tert-butyltoluene	257.75
methyl 4-tert-butylbenzoate	443.51
morpholine	1651.36
tert-butylamine	557.24
n-dodecanol	216.42
dimethoxymethane	667.92
ethylene carbonate	693.45
cyrene	389.22
2-ethoxyethyl acetate	739.91
2-ethylhexyl acetate	576.92
1,2,4-trichlorobenzene	780.75
4-methylpyridine	1050.62
dibutyl ether	528.08
2,6-dimethyl-4-heptanol	257.35
DEF	688.07
dimethyl isosorbide	803.17
tetrachloroethylene	1050.74
eugenol	368.64
triacetin	625.25
span 80	511.05
1,4-butanediol	233.86
1,1-dichloroethane	1247.63
2-methyl-1-pentanol	363.02
methyl formate	426.87
2-methyl-1-butanol	578.44
n-decane	115.68
butyronitrile	696.51
3,7-dimethyl-1-octanol	423.74
1-chlorooctane	361.65
1-chlorotetradecane	149.28
n-nonane	119.66
undecane	83.34
tert-butylcyclohexane	120.96
cyclooctane	152.8
cyclopentanol	761.12
tetrahydropyran	1624.33
tert-amyl methyl ether	636.35
2,5,8-trioxanonane	828.65
1-hexene	372.28
2-isopropoxyethanol	478.73
2,2,2-trifluoroethanol	410.48
methyl butyrate	450.0

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