Molecular formula
C6H12O2S

SMILES
CC[C@@H](C(=O)OC)SC

Fragrance
Fruity	94.17%
Tropical	79.96%
Green	77.92%
Sulfurous	74.44%
Sweet	61.97%
Vegetable	53.59%
Pineapple	48.86%
Cheesy	48.59%
Onion	44.14%
Alliaceous	34.1%

 

Flavor
Fruity	70.62%
Sulfury	40.26%
Tropical	37.2%
Cabbage	33.55%
Onion	33.35%
Sulfurous	31.57%
Cooked	31.56%
Meaty	31.55%
Roasted	30.98%
Berry	29.34%

 

Odor impact est.
High

XLogP3-AA
1.7

pKa est.
7.0 (neutral)

Molecular weight
148.23 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
190°C

Flash point

• 54.88 ˚C est.

• SCHEMBL3504447
• NS00124289

methyl (2S)-2-methylsulfanylbutanoate is used in perfumery and fragrance applications as an odorant or fragrance ingredient, contributing a sulfur-containing note to complex aroma profiles; in the flavor industry it may serve as a flavor intermediate or aroma component; in cosmetics and personal care it can be included as a fragrance ingredient in creams, lotions, and other formulations; in household cleaning products it is employed as a fragrance additive to impart distinct note characteristics; in industrial manufacturing it is often evaluated as an intermediate for sulfur-containing esters and related aroma compounds used in specialty materials.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1660.0
methanol	2347.99
isopropanol	1211.34
water	10.63
ethyl acetate	1366.24
n-propanol	1267.58
acetone	2342.31
n-butanol	955.35
acetonitrile	2453.16
DMF	2412.55
toluene	629.27
isobutanol	903.32
1,4-dioxane	2800.29
methyl acetate	1485.51
THF	2924.24
2-butanone	1607.33
n-pentanol	693.43
sec-butanol	1064.19
n-hexane	124.29
ethylene glycol	524.24
NMP	2496.87
cyclohexane	271.24
DMSO	2735.7
n-butyl acetate	865.53
n-octanol	457.04
chloroform	3881.47
n-propyl acetate	877.23
acetic acid	2704.55
dichloromethane	3489.9
cyclohexanone	2672.66
propylene glycol	548.82
isopropyl acetate	741.25
DMAc	1241.84
2-ethoxyethanol	1167.78
isopentanol	695.38
n-heptane	79.28
ethyl formate	1089.72
1,2-dichloroethane	2196.88
n-hexanol	616.91
2-methoxyethanol	1842.56
isobutyl acetate	485.24
tetrachloromethane	724.64
n-pentyl acetate	683.44
transcutol	2109.51
n-heptanol	373.68
ethylbenzene	354.72
MIBK	673.36
2-propoxyethanol	1063.29
tert-butanol	1304.25
MTBE	938.8
2-butoxyethanol	675.78
propionic acid	1523.54
o-xylene	412.12
formic acid	1035.4
diethyl ether	1124.07
m-xylene	434.01
p-xylene	469.94
chlorobenzene	1312.38
dimethyl carbonate	381.09
n-octane	47.61
formamide	1265.66
cyclopentanone	2992.22
2-pentanone	1198.83
anisole	741.09
cyclopentyl methyl ether	1342.62
gamma-butyrolactone	3490.03
1-methoxy-2-propanol	1244.95
pyridine	2158.59
3-pentanone	848.89
furfural	2624.9
n-dodecane	41.37
diethylene glycol	945.92
diisopropyl ether	312.89
tert-amyl alcohol	989.03
acetylacetone	1362.41
n-hexadecane	48.59
acetophenone	751.9
methyl propionate	1004.0
isopentyl acetate	688.7
trichloroethylene	4540.74
n-nonanol	369.32
cyclohexanol	1271.08
benzyl alcohol	713.37
2-ethylhexanol	377.32
isooctanol	320.67
dipropyl ether	402.36
1,2-dichlorobenzene	1134.61
ethyl lactate	402.08
propylene carbonate	1538.18
n-methylformamide	1858.55
2-pentanol	665.18
n-pentane	120.98
1-propoxy-2-propanol	682.9
1-methoxy-2-propyl acetate	695.11
2-(2-methoxypropoxy) propanol	480.18
mesitylene	296.78
ε-caprolactone	2059.44
p-cymene	224.78
epichlorohydrin	2964.06
1,1,1-trichloroethane	2264.51
2-aminoethanol	837.8
morpholine-4-carbaldehyde	2213.16
sulfolane	4128.21
2,2,4-trimethylpentane	75.09
2-methyltetrahydrofuran	2258.44
n-hexyl acetate	959.51
isooctane	57.75
2-(2-butoxyethoxy)ethanol	735.79
sec-butyl acetate	508.37
tert-butyl acetate	830.76
decalin	113.51
glycerin	705.04
diglyme	1404.26
acrylic acid	1501.51
isopropyl myristate	282.76
n-butyric acid	1633.62
acetyl acetate	792.28
di(2-ethylhexyl) phthalate	265.77
ethyl propionate	636.52
nitromethane	4224.21
1,2-diethoxyethane	777.38
benzonitrile	1315.86
trioctyl phosphate	217.48
1-bromopropane	1103.66
gamma-valerolactone	3332.45
n-decanol	257.24
triethyl phosphate	260.75
4-methyl-2-pentanol	344.61
propionitrile	1460.89
vinylene carbonate	1511.61
1,1,2-trichlorotrifluoroethane	1862.94
DMS	632.27
cumene	239.81
2-octanol	344.95
2-hexanone	773.02
octyl acetate	388.11
limonene	355.37
1,2-dimethoxyethane	1593.08
ethyl orthosilicate	241.01
tributyl phosphate	267.97
diacetone alcohol	879.57
N,N-dimethylaniline	457.42
acrylonitrile	1983.92
aniline	924.63
1,3-propanediol	1118.53
bromobenzene	1282.09
dibromomethane	2193.38
1,1,2,2-tetrachloroethane	3063.44
2-methyl-cyclohexyl acetate	465.18
tetrabutyl urea	351.91
diisobutyl methanol	230.46
2-phenylethanol	582.84
styrene	501.87
dioctyl adipate	399.2
dimethyl sulfate	728.1
ethyl butyrate	546.48
methyl lactate	518.0
butyl lactate	500.36
diethyl carbonate	350.35
propanediol butyl ether	702.64
triethyl orthoformate	352.61
p-tert-butyltoluene	223.03
methyl 4-tert-butylbenzoate	571.07
morpholine	2864.56
tert-butylamine	727.25
n-dodecanol	186.52
dimethoxymethane	1080.11
ethylene carbonate	1214.65
cyrene	601.94
2-ethoxyethyl acetate	795.39
2-ethylhexyl acetate	535.26
1,2,4-trichlorobenzene	1307.16
4-methylpyridine	1874.74
dibutyl ether	420.89
2,6-dimethyl-4-heptanol	230.46
DEF	1188.06
dimethyl isosorbide	898.83
tetrachloroethylene	2248.44
eugenol	584.72
triacetin	697.88
span 80	514.61
1,4-butanediol	511.15
1,1-dichloroethane	2240.12
2-methyl-1-pentanol	553.29
methyl formate	1425.15
2-methyl-1-butanol	699.83
n-decane	70.67
butyronitrile	1373.9
3,7-dimethyl-1-octanol	364.43
1-chlorooctane	327.68
1-chlorotetradecane	120.73
n-nonane	72.73
undecane	52.1
tert-butylcyclohexane	105.52
cyclooctane	81.11
cyclopentanol	1481.91
tetrahydropyran	2326.02
tert-amyl methyl ether	629.78
2,5,8-trioxanonane	804.63
1-hexene	434.12
2-isopropoxyethanol	719.51
2,2,2-trifluoroethanol	819.66
methyl butyrate	945.36

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