Molecular formula
C6H12OS

SMILES
CCC(C)C(=S)OC

Fragrance
Fruity	92.06%
Sulfurous	79.5%
Tropical	77.85%
Cheesy	75.4%
Ripe	47.1%
Vegetable	44.41%
Dairy	37.77%
Pineapple	35.24%
Cabbage	33.6%
Creamy	31.98%

 

Flavor
Fruity	78.19%
Green	52.35%
Tropical	44.91%
Berry	38.77%
Apple	37.89%
Pineapple	37.74%
Sweet	37.62%
Cheese	30.22%
Ripe	27.62%
Fatty	25.95%

 

Odor impact est.
Low

XLogP3-AA
2.1

pKa est.
9.67 (weak base)

Molecular weight
132.23 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very fast

Boiling point est.
170°C

Flash point

• 32.7 ˚C est.

• SCHEMBL18339372
• AKOS015897583

O-methyl 2-methylbutanethioate is primarily used as an intermediate in organic synthesis and is recognized as a fragrance/odorant ingredient in the perfumery and cosmetics sector. It may be evaluated for applications in consumer care and household products as a scent compound, and can function as a reagent intermediate or additive in coatings and inks. In industrial manufacturing, it can participate in polymer synthesis and other materials development as an acyl-transfer precursor or functionalized derivative.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	423.99
methanol	557.78
isopropanol	318.54
water	3.11
ethyl acetate	530.78
n-propanol	344.28
acetone	826.12
n-butanol	317.28
acetonitrile	819.16
DMF	734.24
toluene	305.8
isobutanol	251.42
1,4-dioxane	1138.03
methyl acetate	621.75
THF	1150.04
2-butanone	625.09
n-pentanol	247.94
sec-butanol	297.28
n-hexane	52.05
ethylene glycol	134.99
NMP	889.04
cyclohexane	118.41
DMSO	905.68
n-butyl acetate	499.59
n-octanol	178.82
chloroform	1561.78
n-propyl acetate	408.52
acetic acid	733.88
dichloromethane	1363.24
cyclohexanone	966.8
propylene glycol	130.32
isopropyl acetate	315.79
DMAc	529.49
2-ethoxyethanol	476.22
isopentanol	267.22
n-heptane	56.26
ethyl formate	386.56
1,2-dichloroethane	833.85
n-hexanol	278.34
2-methoxyethanol	632.08
isobutyl acetate	243.89
tetrachloromethane	483.99
n-pentyl acetate	329.05
transcutol	1094.97
n-heptanol	161.66
ethylbenzene	181.28
MIBK	297.26
2-propoxyethanol	518.94
tert-butanol	433.47
MTBE	401.49
2-butoxyethanol	327.57
propionic acid	408.38
o-xylene	231.93
formic acid	239.88
diethyl ether	446.72
m-xylene	215.66
p-xylene	260.74
chlorobenzene	558.74
dimethyl carbonate	166.21
n-octane	30.25
formamide	314.9
cyclopentanone	1144.78
2-pentanone	479.8
anisole	407.34
cyclopentyl methyl ether	490.19
gamma-butyrolactone	1219.69
1-methoxy-2-propanol	396.48
pyridine	801.93
3-pentanone	386.03
furfural	1118.86
n-dodecane	26.5
diethylene glycol	425.78
diisopropyl ether	151.46
tert-amyl alcohol	352.93
acetylacetone	619.57
n-hexadecane	30.56
acetophenone	407.02
methyl propionate	356.3
isopentyl acetate	399.0
trichloroethylene	1728.83
n-nonanol	162.18
cyclohexanol	370.46
benzyl alcohol	318.52
2-ethylhexanol	193.35
isooctanol	139.22
dipropyl ether	264.11
1,2-dichlorobenzene	542.64
ethyl lactate	185.27
propylene carbonate	572.12
n-methylformamide	444.84
2-pentanol	220.16
n-pentane	53.38
1-propoxy-2-propanol	364.94
1-methoxy-2-propyl acetate	408.4
2-(2-methoxypropoxy) propanol	308.9
mesitylene	163.21
ε-caprolactone	778.87
p-cymene	165.93
epichlorohydrin	1079.26
1,1,1-trichloroethane	1087.64
2-aminoethanol	212.73
morpholine-4-carbaldehyde	968.12
sulfolane	1315.46
2,2,4-trimethylpentane	43.04
2-methyltetrahydrofuran	881.27
n-hexyl acetate	392.93
isooctane	34.22
2-(2-butoxyethoxy)ethanol	406.61
sec-butyl acetate	262.56
tert-butyl acetate	383.58
decalin	67.21
glycerin	210.69
diglyme	797.29
acrylic acid	408.5
isopropyl myristate	171.58
n-butyric acid	479.32
acetyl acetate	416.55
di(2-ethylhexyl) phthalate	159.47
ethyl propionate	301.48
nitromethane	1329.39
1,2-diethoxyethane	475.55
benzonitrile	603.91
trioctyl phosphate	120.74
1-bromopropane	462.77
gamma-valerolactone	1274.41
n-decanol	120.21
triethyl phosphate	183.31
4-methyl-2-pentanol	138.11
propionitrile	479.92
vinylene carbonate	598.9
1,1,2-trichlorotrifluoroethane	729.81
DMS	327.31
cumene	143.73
2-octanol	134.0
2-hexanone	394.68
octyl acetate	204.33
limonene	231.73
1,2-dimethoxyethane	767.71
ethyl orthosilicate	172.15
tributyl phosphate	153.79
diacetone alcohol	372.56
N,N-dimethylaniline	259.74
acrylonitrile	646.68
aniline	345.92
1,3-propanediol	328.25
bromobenzene	618.9
dibromomethane	952.73
1,1,2,2-tetrachloroethane	1189.35
2-methyl-cyclohexyl acetate	288.62
tetrabutyl urea	188.74
diisobutyl methanol	145.06
2-phenylethanol	312.6
styrene	250.48
dioctyl adipate	239.85
dimethyl sulfate	298.74
ethyl butyrate	360.62
methyl lactate	192.74
butyl lactate	222.19
diethyl carbonate	251.6
propanediol butyl ether	275.94
triethyl orthoformate	246.97
p-tert-butyltoluene	167.53
methyl 4-tert-butylbenzoate	316.38
morpholine	990.28
tert-butylamine	274.98
n-dodecanol	94.2
dimethoxymethane	430.31
ethylene carbonate	472.01
cyrene	336.65
2-ethoxyethyl acetate	433.73
2-ethylhexyl acetate	328.99
1,2,4-trichlorobenzene	665.16
4-methylpyridine	756.59
dibutyl ether	234.98
2,6-dimethyl-4-heptanol	145.06
DEF	475.08
dimethyl isosorbide	542.9
tetrachloroethylene	908.29
eugenol	317.79
triacetin	370.55
span 80	281.32
1,4-butanediol	173.93
1,1-dichloroethane	895.62
2-methyl-1-pentanol	234.45
methyl formate	394.69
2-methyl-1-butanol	249.16
n-decane	42.52
butyronitrile	483.83
3,7-dimethyl-1-octanol	181.67
1-chlorooctane	164.92
1-chlorotetradecane	72.61
n-nonane	41.41
undecane	32.33
tert-butylcyclohexane	63.52
cyclooctane	44.18
cyclopentanol	428.44
tetrahydropyran	825.59
tert-amyl methyl ether	300.29
2,5,8-trioxanonane	521.63
1-hexene	166.01
2-isopropoxyethanol	342.75
2,2,2-trifluoroethanol	283.65
methyl butyrate	414.16

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