Molecular formula
C7H12O2S

SMILES
CC1C(CCO1)OC(=S)C

Fragrance
Sulfurous	83.44%
Meaty	83.1%
Roasted	74.91%
Savory	49.32%
Cooked	38.52%
Onion	38.44%
Beefy	33.64%
Coffee	33.54%
Burnt	31.25%
Tropical	25.88%

 

Flavor
Fruity	45.29%
Sweet	36.53%
Nutty	31.02%
Caramel	30.39%
Musty	28.47%
Tropical	28.44%
Bitter	25.8%
Herbal	25.29%
Potato	24.8%
Minty	24.11%

 

Odor impact est.
Low

XLogP3-AA
1.2

pKa est.
9.32 (weak base)

Molecular weight
160.24 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
221°C

Flash point

• 61.68 ˚C est.

O-(2-methyloxolan-3-yl) ethanethioate is primarily used as an intermediate in organic synthesis, functioning as an activated thioester that can participate in acyl-transfer reactions and serve as a precursor to thioester- and ester-containing derivatives. It is also employed as a protecting group for hydroxyls in complex synthetic sequences, notably in carbohydrate and natural-product syntheses. Given its thioester character, the compound is often evaluated as a building block for pharmaceutical and agrochemical intermediates. In polymer and coatings applications, it can act as a precursor to introduce thioester functionality into polymer chains or surface formulations. Additionally, it may be explored as a precursor for fragrance chemistry as an odor-active intermediate. Subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	363.48
methanol	604.0
isopropanol	269.27
water	32.97
ethyl acetate	351.35
n-propanol	256.48
acetone	695.9
n-butanol	231.32
acetonitrile	617.15
DMF	843.52
toluene	160.96
isobutanol	200.5
1,4-dioxane	598.45
methyl acetate	484.01
THF	555.09
2-butanone	463.71
n-pentanol	186.71
sec-butanol	228.82
n-hexane	13.41
ethylene glycol	302.46
NMP	587.61
cyclohexane	22.3
DMSO	1108.17
n-butyl acetate	162.08
n-octanol	130.35
chloroform	1135.93
n-propyl acetate	200.98
acetic acid	494.66
dichloromethane	1124.68
cyclohexanone	454.23
propylene glycol	255.85
isopropyl acetate	213.51
DMAc	884.81
2-ethoxyethanol	528.94
isopentanol	198.48
n-heptane	16.98
ethyl formate	324.45
1,2-dichloroethane	554.58
n-hexanol	157.79
2-methoxyethanol	786.43
isobutyl acetate	138.48
tetrachloromethane	187.03
n-pentyl acetate	134.97
transcutol	799.73
n-heptanol	102.28
ethylbenzene	87.23
MIBK	197.03
2-propoxyethanol	416.19
tert-butanol	302.39
MTBE	241.1
2-butoxyethanol	245.34
propionic acid	301.89
o-xylene	133.36
formic acid	318.06
diethyl ether	225.85
m-xylene	124.68
p-xylene	132.92
chlorobenzene	278.57
dimethyl carbonate	188.18
n-octane	11.23
formamide	358.09
cyclopentanone	561.23
2-pentanone	319.35
anisole	284.24
cyclopentyl methyl ether	247.39
gamma-butyrolactone	601.14
1-methoxy-2-propanol	530.11
pyridine	404.23
3-pentanone	264.93
furfural	775.68
n-dodecane	15.6
diethylene glycol	510.8
diisopropyl ether	80.33
tert-amyl alcohol	238.26
acetylacetone	510.73
n-hexadecane	17.44
acetophenone	288.62
methyl propionate	298.36
isopentyl acetate	153.94
trichloroethylene	1049.92
n-nonanol	111.03
cyclohexanol	196.49
benzyl alcohol	250.97
2-ethylhexanol	101.97
isooctanol	87.82
dipropyl ether	112.47
1,2-dichlorobenzene	292.57
ethyl lactate	178.47
propylene carbonate	332.05
n-methylformamide	446.16
2-pentanol	156.6
n-pentane	15.64
1-propoxy-2-propanol	252.11
1-methoxy-2-propyl acetate	240.06
2-(2-methoxypropoxy) propanol	259.21
mesitylene	82.96
ε-caprolactone	374.59
p-cymene	72.29
epichlorohydrin	685.83
1,1,1-trichloroethane	549.75
2-aminoethanol	315.64
morpholine-4-carbaldehyde	784.62
sulfolane	707.89
2,2,4-trimethylpentane	19.05
2-methyltetrahydrofuran	357.87
n-hexyl acetate	201.17
isooctane	13.33
2-(2-butoxyethoxy)ethanol	304.17
sec-butyl acetate	147.86
tert-butyl acetate	211.22
decalin	24.32
glycerin	432.83
diglyme	604.65
acrylic acid	342.94
isopropyl myristate	96.99
n-butyric acid	297.42
acetyl acetate	332.19
di(2-ethylhexyl) phthalate	106.74
ethyl propionate	187.85
nitromethane	965.39
1,2-diethoxyethane	248.84
benzonitrile	336.29
trioctyl phosphate	77.07
1-bromopropane	236.78
gamma-valerolactone	729.71
n-decanol	84.85
triethyl phosphate	110.12
4-methyl-2-pentanol	108.09
propionitrile	303.15
vinylene carbonate	352.26
1,1,2-trichlorotrifluoroethane	607.52
DMS	229.46
cumene	73.25
2-octanol	81.04
2-hexanone	221.57
octyl acetate	121.05
limonene	97.09
1,2-dimethoxyethane	694.67
ethyl orthosilicate	101.74
tributyl phosphate	90.81
diacetone alcohol	288.1
N,N-dimethylaniline	200.93
acrylonitrile	446.96
aniline	238.62
1,3-propanediol	360.93
bromobenzene	282.95
dibromomethane	606.44
1,1,2,2-tetrachloroethane	796.27
2-methyl-cyclohexyl acetate	139.92
tetrabutyl urea	121.6
diisobutyl methanol	72.91
2-phenylethanol	192.21
styrene	119.91
dioctyl adipate	144.47
dimethyl sulfate	379.02
ethyl butyrate	149.11
methyl lactate	265.21
butyl lactate	138.32
diethyl carbonate	126.46
propanediol butyl ether	263.7
triethyl orthoformate	121.43
p-tert-butyltoluene	72.65
methyl 4-tert-butylbenzoate	214.31
morpholine	490.28
tert-butylamine	173.88
n-dodecanol	69.44
dimethoxymethane	485.84
ethylene carbonate	280.42
cyrene	277.16
2-ethoxyethyl acetate	221.93
2-ethylhexyl acetate	120.46
1,2,4-trichlorobenzene	364.15
4-methylpyridine	430.84
dibutyl ether	113.4
2,6-dimethyl-4-heptanol	72.91
DEF	374.83
dimethyl isosorbide	339.27
tetrachloroethylene	499.46
eugenol	234.2
triacetin	268.99
span 80	194.97
1,4-butanediol	221.37
1,1-dichloroethane	589.47
2-methyl-1-pentanol	161.3
methyl formate	429.63
2-methyl-1-butanol	191.72
n-decane	22.41
butyronitrile	274.7
3,7-dimethyl-1-octanol	117.47
1-chlorooctane	91.01
1-chlorotetradecane	44.59
n-nonane	20.53
undecane	18.09
tert-butylcyclohexane	24.84
cyclooctane	11.22
cyclopentanol	229.4
tetrahydropyran	294.23
tert-amyl methyl ether	189.84
2,5,8-trioxanonane	426.45
1-hexene	57.81
2-isopropoxyethanol	333.77
2,2,2-trifluoroethanol	273.09
methyl butyrate	246.85

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