Molecular formula
C5H10OS

SMILES
CC(C)C(=S)OC

Fragrance
Fruity	89.83%
Sulfurous	68.8%
Cheesy	63.86%
Tropical	63.79%
Ripe	41.26%
Vegetable	33.31%
Dairy	32.57%
Grape	28.62%
Pineapple	28.07%
Fermented	27.99%

 

Flavor
Fruity	51.88%
Tropical	38.03%
Cheese	31.2%
Pineapple	28.56%
Floral	27.18%
Green	26.57%
Pungent	25.67%
Berry	25.61%
Ripe	24.58%
Sharp	23.09%

 

Odor impact est.
Low

XLogP3-AA
1.8

pKa est.
8.83 (weak base)

Molecular weight
118.2 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra fast

Boiling point est.
148°C

Flash point

• 25.36 ˚C est.

• SCHEMBL12771423
• DB-308251

O-methyl 2-methylpropanethioate is a sulfur-containing thioate commonly considered as an organic synthesis intermediate for sulfur-containing esters and related compounds. It may be used as a solvent or processing aid in industrial applications such as coatings, inks, and adhesives. Owing to its sulfur-containing ester characteristics, it may be explored as a fragrance ingredient or fragrance fixative in the cosmetics and fragrance industries. Additionally, it can act as a plasticizer or polymer additive in certain formulations, or serve as a precursor for specialty chemicals in the research and development of tailored chemical products.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	263.9
methanol	359.12
isopropanol	173.16
water	3.2
ethyl acetate	351.6
n-propanol	192.44
acetone	464.84
n-butanol	199.29
acetonitrile	478.7
DMF	436.96
toluene	193.38
isobutanol	140.53
1,4-dioxane	693.49
methyl acetate	394.18
THF	685.59
2-butanone	394.72
n-pentanol	155.26
sec-butanol	163.55
n-hexane	40.76
ethylene glycol	77.52
NMP	557.22
cyclohexane	87.65
DMSO	469.14
n-butyl acetate	318.81
n-octanol	90.7
chloroform	1186.78
n-propyl acetate	254.15
acetic acid	509.61
dichloromethane	1035.66
cyclohexanone	548.65
propylene glycol	65.08
isopropyl acetate	199.89
DMAc	374.14
2-ethoxyethanol	314.39
isopentanol	167.81
n-heptane	46.66
ethyl formate	283.87
1,2-dichloroethane	532.11
n-hexanol	165.55
2-methoxyethanol	447.88
isobutyl acetate	143.11
tetrachloromethane	350.02
n-pentyl acetate	205.75
transcutol	753.67
n-heptanol	93.52
ethylbenzene	119.05
MIBK	174.33
2-propoxyethanol	314.19
tert-butanol	263.69
MTBE	285.0
2-butoxyethanol	200.75
propionic acid	228.65
o-xylene	148.86
formic acid	207.03
diethyl ether	327.67
m-xylene	135.84
p-xylene	169.74
chlorobenzene	358.28
dimethyl carbonate	110.51
n-octane	19.39
formamide	281.52
cyclopentanone	604.75
2-pentanone	302.62
anisole	291.95
cyclopentyl methyl ether	307.97
gamma-butyrolactone	655.96
1-methoxy-2-propanol	253.01
pyridine	518.64
3-pentanone	256.51
furfural	764.98
n-dodecane	14.95
diethylene glycol	257.73
diisopropyl ether	106.97
tert-amyl alcohol	218.01
acetylacetone	387.61
n-hexadecane	17.22
acetophenone	284.31
methyl propionate	227.31
isopentyl acetate	264.29
trichloroethylene	1152.25
n-nonanol	84.73
cyclohexanol	219.01
benzyl alcohol	212.57
2-ethylhexanol	129.8
isooctanol	78.65
dipropyl ether	199.6
1,2-dichlorobenzene	376.23
ethyl lactate	106.68
propylene carbonate	348.63
n-methylformamide	286.37
2-pentanol	124.89
n-pentane	42.71
1-propoxy-2-propanol	226.67
1-methoxy-2-propyl acetate	285.29
2-(2-methoxypropoxy) propanol	217.2
mesitylene	100.8
ε-caprolactone	478.02
p-cymene	110.93
epichlorohydrin	697.1
1,1,1-trichloroethane	742.1
2-aminoethanol	132.36
morpholine-4-carbaldehyde	626.7
sulfolane	707.12
2,2,4-trimethylpentane	29.7
2-methyltetrahydrofuran	548.6
n-hexyl acetate	235.9
isooctane	21.19
2-(2-butoxyethoxy)ethanol	274.77
sec-butyl acetate	167.98
tert-butyl acetate	254.23
decalin	42.07
glycerin	118.58
diglyme	590.17
acrylic acid	237.71
isopropyl myristate	106.39
n-butyric acid	309.9
acetyl acetate	288.85
di(2-ethylhexyl) phthalate	104.72
ethyl propionate	198.21
nitromethane	793.85
1,2-diethoxyethane	363.14
benzonitrile	375.62
trioctyl phosphate	71.2
1-bromopropane	304.79
gamma-valerolactone	781.34
n-decanol	64.28
triethyl phosphate	139.36
4-methyl-2-pentanol	80.61
propionitrile	296.38
vinylene carbonate	350.75
1,1,2-trichlorotrifluoroethane	504.31
DMS	210.74
cumene	89.57
2-octanol	68.13
2-hexanone	247.06
octyl acetate	123.23
limonene	159.23
1,2-dimethoxyethane	539.83
ethyl orthosilicate	138.56
tributyl phosphate	99.02
diacetone alcohol	232.83
N,N-dimethylaniline	176.66
acrylonitrile	375.22
aniline	213.73
1,3-propanediol	216.16
bromobenzene	378.26
dibromomethane	652.24
1,1,2,2-tetrachloroethane	793.99
2-methyl-cyclohexyl acetate	211.91
tetrabutyl urea	125.04
diisobutyl methanol	92.56
2-phenylethanol	204.69
styrene	166.36
dioctyl adipate	167.01
dimethyl sulfate	185.07
ethyl butyrate	254.4
methyl lactate	116.08
butyl lactate	136.19
diethyl carbonate	186.15
propanediol butyl ether	142.51
triethyl orthoformate	188.72
p-tert-butyltoluene	111.45
methyl 4-tert-butylbenzoate	225.33
morpholine	600.29
tert-butylamine	174.92
n-dodecanol	52.02
dimethoxymethane	301.02
ethylene carbonate	280.99
cyrene	259.19
2-ethoxyethyl acetate	297.39
2-ethylhexyl acetate	225.25
1,2,4-trichlorobenzene	443.58
4-methylpyridine	475.88
dibutyl ether	159.06
2,6-dimethyl-4-heptanol	92.56
DEF	314.08
dimethyl isosorbide	414.87
tetrachloroethylene	610.24
eugenol	208.68
triacetin	252.75
span 80	179.32
1,4-butanediol	93.56
1,1-dichloroethane	574.13
2-methyl-1-pentanol	147.63
methyl formate	255.34
2-methyl-1-butanol	151.93
n-decane	24.33
butyronitrile	296.89
3,7-dimethyl-1-octanol	110.18
1-chlorooctane	92.77
1-chlorotetradecane	41.08
n-nonane	23.14
undecane	18.02
tert-butylcyclohexane	40.99
cyclooctane	31.48
cyclopentanol	226.66
tetrahydropyran	501.29
tert-amyl methyl ether	221.86
2,5,8-trioxanonane	400.25
1-hexene	117.08
2-isopropoxyethanol	217.17
2,2,2-trifluoroethanol	217.83
methyl butyrate	267.89

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