Molecular formula
C4H10O2S

SMILES
CCCS(=O)OC

Fragrance
Fruity	90.11%
Sweet	67.31%
Tropical	49.64%
Sulfurous	47.9%
Pineapple	43.59%
Green	43.59%
Cheesy	42.52%
Onion	39.34%
Ethereal	39.25%
Fresh	34.0%

 

Flavor
Fruity	59.85%
Sulfury	42.7%
Vegetable	40.1%
Cheese	38.29%
Fatty	36.61%
Sulfurous	36.42%
Garlic	34.95%
Cabbage	34.79%
Tomato	34.34%
Potato	33.75%

 

Odor impact est.
High

XLogP3-AA
0.6

pKa est.
8.18 (weak base)

Molecular weight
122.19 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very fast

Boiling point est.
171°C

Flash point

• 59.58 ˚C est.

• Methyl propanesulfinate
• 1-Propanesulfinic acid, methyl ester
• Methyl 1-propanesulfinate
• SCHEMBL10810951
• CMLBKHWHZQICER-UHFFFAOYSA-N

Methyl propanesulfinate is typically viewed as an organic synthesis intermediate and can be used as a solvent or processing aid in formulations for paints, coatings, and cleaners. It also serves as a precursor to sulfur-containing compounds used in the production of plastics and rubber, and may function as an additive or stabilizer in polymers and coatings. Given its sulfur-containing ester functionality, methyl propanesulfinate may be evaluated for fragrance applications as a fragrance ingredient or odorant precursor. In addition, it can be used as a building block for generating other sulfinyl- and sulfonyl-containing intermediates in industrial synthesis.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	612.77
methanol	1125.72
isopropanol	428.22
water	57.98
ethyl acetate	233.28
n-propanol	452.9
acetone	566.47
n-butanol	328.97
acetonitrile	688.47
DMF	890.35
toluene	122.32
isobutanol	311.82
1,4-dioxane	597.86
methyl acetate	361.85
THF	593.24
2-butanone	420.96
n-pentanol	227.31
sec-butanol	393.31
n-hexane	26.0
ethylene glycol	334.13
NMP	950.68
cyclohexane	57.83
DMSO	922.73
n-butyl acetate	184.71
n-octanol	174.45
chloroform	1130.15
n-propyl acetate	169.68
acetic acid	1117.89
dichloromethane	902.21
cyclohexanone	684.29
propylene glycol	342.3
isopropyl acetate	146.9
DMAc	594.32
2-ethoxyethanol	375.15
isopentanol	237.39
n-heptane	24.3
ethyl formate	274.65
1,2-dichloroethane	491.49
n-hexanol	207.85
2-methoxyethanol	696.13
isobutyl acetate	107.83
tetrachloromethane	199.82
n-pentyl acetate	182.82
transcutol	718.26
n-heptanol	135.39
ethylbenzene	81.68
MIBK	164.96
2-propoxyethanol	350.17
tert-butanol	439.71
MTBE	240.55
2-butoxyethanol	236.79
propionic acid	594.24
o-xylene	124.27
formic acid	638.69
diethyl ether	197.33
m-xylene	102.87
p-xylene	123.1
chlorobenzene	290.39
dimethyl carbonate	104.38
n-octane	15.13
formamide	591.47
cyclopentanone	775.65
2-pentanone	278.09
anisole	203.17
cyclopentyl methyl ether	265.9
gamma-butyrolactone	825.3
1-methoxy-2-propanol	448.49
pyridine	510.92
3-pentanone	224.72
furfural	849.56
n-dodecane	14.73
diethylene glycol	369.12
diisopropyl ether	62.6
tert-amyl alcohol	384.24
acetylacetone	336.13
n-hexadecane	16.24
acetophenone	247.86
methyl propionate	218.78
isopentyl acetate	165.12
trichloroethylene	1054.19
n-nonanol	141.22
cyclohexanol	373.0
benzyl alcohol	236.55
2-ethylhexanol	129.36
isooctanol	115.58
dipropyl ether	100.6
1,2-dichlorobenzene	317.71
ethyl lactate	135.85
propylene carbonate	418.18
n-methylformamide	591.34
2-pentanol	211.99
n-pentane	29.76
1-propoxy-2-propanol	239.37
1-methoxy-2-propyl acetate	181.54
2-(2-methoxypropoxy) propanol	230.91
mesitylene	78.85
ε-caprolactone	530.82
p-cymene	74.91
epichlorohydrin	624.49
1,1,1-trichloroethane	456.11
2-aminoethanol	480.23
morpholine-4-carbaldehyde	772.73
sulfolane	1104.69
2,2,4-trimethylpentane	27.8
2-methyltetrahydrofuran	469.63
n-hexyl acetate	257.09
isooctane	16.94
2-(2-butoxyethoxy)ethanol	291.8
sec-butyl acetate	109.94
tert-butyl acetate	180.78
decalin	32.88
glycerin	508.07
diglyme	497.3
acrylic acid	650.03
isopropyl myristate	93.44
n-butyric acid	495.13
acetyl acetate	196.02
di(2-ethylhexyl) phthalate	111.92
ethyl propionate	135.31
nitromethane	1280.44
1,2-diethoxyethane	200.95
benzonitrile	406.22
trioctyl phosphate	89.35
1-bromopropane	238.51
gamma-valerolactone	849.48
n-decanol	100.72
triethyl phosphate	96.97
4-methyl-2-pentanol	115.22
propionitrile	420.65
vinylene carbonate	437.85
1,1,2-trichlorotrifluoroethane	680.96
DMS	190.78
cumene	71.83
2-octanol	119.27
2-hexanone	206.54
octyl acetate	129.5
limonene	114.45
1,2-dimethoxyethane	460.18
ethyl orthosilicate	88.76
tributyl phosphate	105.27
diacetone alcohol	278.86
N,N-dimethylaniline	165.83
acrylonitrile	612.7
aniline	262.31
1,3-propanediol	469.48
bromobenzene	261.87
dibromomethane	544.64
1,1,2,2-tetrachloroethane	850.0
2-methyl-cyclohexyl acetate	155.45
tetrabutyl urea	139.64
diisobutyl methanol	82.94
2-phenylethanol	202.32
styrene	110.2
dioctyl adipate	144.12
dimethyl sulfate	230.09
ethyl butyrate	137.89
methyl lactate	209.96
butyl lactate	180.13
diethyl carbonate	103.99
propanediol butyl ether	296.44
triethyl orthoformate	107.36
p-tert-butyltoluene	72.93
methyl 4-tert-butylbenzoate	227.4
morpholine	629.36
tert-butylamine	260.85
n-dodecanol	76.24
dimethoxymethane	283.67
ethylene carbonate	328.32
cyrene	265.93
2-ethoxyethyl acetate	202.39
2-ethylhexyl acetate	131.93
1,2,4-trichlorobenzene	400.51
4-methylpyridine	479.39
dibutyl ether	120.1
2,6-dimethyl-4-heptanol	82.94
DEF	358.77
dimethyl isosorbide	343.08
tetrachloroethylene	612.34
eugenol	248.07
triacetin	254.15
span 80	242.7
1,4-butanediol	237.21
1,1-dichloroethane	481.72
2-methyl-1-pentanol	187.18
methyl formate	397.63
2-methyl-1-butanol	258.74
n-decane	24.0
butyronitrile	368.96
3,7-dimethyl-1-octanol	142.68
1-chlorooctane	98.67
1-chlorotetradecane	40.93
n-nonane	24.02
undecane	18.0
tert-butylcyclohexane	31.91
cyclooctane	20.24
cyclopentanol	459.48
tetrahydropyran	427.06
tert-amyl methyl ether	191.03
2,5,8-trioxanonane	351.72
1-hexene	91.13
2-isopropoxyethanol	241.87
2,2,2-trifluoroethanol	431.81
methyl butyrate	217.34

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