Molecular formula
C7H14OS

SMILES
CCCC(C)C(=S)OC

Fragrance
Sulfurous	77.15%
Cheesy	74.25%
Tropical	68.88%
Fruity	61.86%
Vegetable	44.63%
Ripe	41.69%
Dairy	37.79%
Creamy	33.55%
Cabbage	32.59%
Fermented	31.73%

 

Flavor
Fruity	63.73%
Green	44.92%
Tropical	40.95%
Cheese	28.97%
Pineapple	28.64%
Berry	27.79%
Apple	25.53%
Ripe	25.0%
Oily	22.59%
Ethereal	22.21%

 

Odor impact est.
Low

XLogP3-AA
2.7

pKa est.
10.0 (weak base)

Molecular weight
146.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
187°C

Flash point

• 46.02 ˚C est.

O-methyl 2-methylpentanethioate is mainly used as an organic synthesis intermediate and acyl-transfer reagent, enabling the introduction of the branched 2-methylpentanoyl moiety into target molecules and the preparation of thioester derivatives. It can serve as a building block in pharmaceutical and agrochemical synthesis, and may be employed in fragrance or flavor research as a potential odor-active intermediate, depending on formulation and regulatory constraints. In polymer and coatings applications, it may function as a reactive ester precursor for specialty esters or as a processing aid in certain formulations. As with many specialty esters, use is typically restricted to process chemistry and is subject to local regulations and formulation limits. CAS number:

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	422.02
methanol	486.17
isopropanol	324.83
water	0.7
ethyl acetate	392.46
n-propanol	318.24
acetone	590.91
n-butanol	334.86
acetonitrile	624.71
DMF	545.17
toluene	337.77
isobutanol	240.92
1,4-dioxane	1037.91
methyl acetate	489.07
THF	1013.84
2-butanone	536.22
n-pentanol	278.76
sec-butanol	310.82
n-hexane	44.2
ethylene glycol	87.65
NMP	618.27
cyclohexane	156.82
DMSO	640.58
n-butyl acetate	559.0
n-octanol	215.41
chloroform	1801.31
n-propyl acetate	379.38
acetic acid	504.7
dichloromethane	1538.88
cyclohexanone	882.52
propylene glycol	100.65
isopropyl acetate	228.46
DMAc	441.31
2-ethoxyethanol	373.22
isopentanol	273.68
n-heptane	72.28
ethyl formate	356.56
1,2-dichloroethane	771.65
n-hexanol	348.49
2-methoxyethanol	488.51
isobutyl acetate	216.99
tetrachloromethane	430.62
n-pentyl acetate	329.47
transcutol	1041.88
n-heptanol	187.67
ethylbenzene	190.49
MIBK	219.88
2-propoxyethanol	481.28
tert-butanol	424.75
MTBE	373.1
2-butoxyethanol	328.37
propionic acid	300.86
o-xylene	233.26
formic acid	121.58
diethyl ether	366.62
m-xylene	213.86
p-xylene	266.04
chlorobenzene	572.6
dimethyl carbonate	102.1
n-octane	34.15
formamide	186.47
cyclopentanone	797.51
2-pentanone	372.73
anisole	383.63
cyclopentyl methyl ether	384.98
gamma-butyrolactone	827.08
1-methoxy-2-propanol	315.0
pyridine	900.46
3-pentanone	280.91
furfural	898.32
n-dodecane	31.92
diethylene glycol	325.8
diisopropyl ether	111.73
tert-amyl alcohol	343.92
acetylacetone	371.96
n-hexadecane	37.5
acetophenone	374.34
methyl propionate	250.7
isopentyl acetate	439.91
trichloroethylene	1753.44
n-nonanol	187.98
cyclohexanol	410.39
benzyl alcohol	311.37
2-ethylhexanol	257.17
isooctanol	163.76
dipropyl ether	289.05
1,2-dichlorobenzene	521.44
ethyl lactate	150.14
propylene carbonate	482.01
n-methylformamide	308.93
2-pentanol	215.49
n-pentane	50.92
1-propoxy-2-propanol	388.09
1-methoxy-2-propyl acetate	358.22
2-(2-methoxypropoxy) propanol	295.45
mesitylene	146.47
ε-caprolactone	699.84
p-cymene	184.49
epichlorohydrin	948.62
1,1,1-trichloroethane	1022.74
2-aminoethanol	158.71
morpholine-4-carbaldehyde	761.9
sulfolane	836.18
2,2,4-trimethylpentane	37.7
2-methyltetrahydrofuran	827.37
n-hexyl acetate	403.73
isooctane	28.42
2-(2-butoxyethoxy)ethanol	400.42
sec-butyl acetate	221.6
tert-butyl acetate	271.31
decalin	69.31
glycerin	145.67
diglyme	805.24
acrylic acid	273.01
isopropyl myristate	176.49
n-butyric acid	412.73
acetyl acetate	287.68
di(2-ethylhexyl) phthalate	167.62
ethyl propionate	239.0
nitromethane	779.69
1,2-diethoxyethane	510.08
benzonitrile	627.17
trioctyl phosphate	123.1
1-bromopropane	461.28
gamma-valerolactone	971.22
n-decanol	139.41
triethyl phosphate	171.17
4-methyl-2-pentanol	128.32
propionitrile	429.92
vinylene carbonate	510.69
1,1,2-trichlorotrifluoroethane	606.78
DMS	248.61
cumene	135.65
2-octanol	151.58
2-hexanone	394.9
octyl acetate	210.41
limonene	281.14
1,2-dimethoxyethane	731.48
ethyl orthosilicate	170.12
tributyl phosphate	152.14
diacetone alcohol	284.62
N,N-dimethylaniline	232.25
acrylonitrile	547.07
aniline	344.97
1,3-propanediol	263.83
bromobenzene	662.44
dibromomethane	1031.76
1,1,2,2-tetrachloroethane	1192.2
2-methyl-cyclohexyl acetate	294.42
tetrabutyl urea	198.68
diisobutyl methanol	164.83
2-phenylethanol	337.3
styrene	269.18
dioctyl adipate	242.28
dimethyl sulfate	172.33
ethyl butyrate	380.21
methyl lactate	133.24
butyl lactate	233.19
diethyl carbonate	253.13
propanediol butyl ether	269.03
triethyl orthoformate	254.68
p-tert-butyltoluene	177.95
methyl 4-tert-butylbenzoate	287.95
morpholine	928.83
tert-butylamine	282.38
n-dodecanol	110.91
dimethoxymethane	299.31
ethylene carbonate	401.74
cyrene	298.83
2-ethoxyethyl acetate	396.38
2-ethylhexyl acetate	365.11
1,2,4-trichlorobenzene	624.42
4-methylpyridine	800.81
dibutyl ether	279.68
2,6-dimethyl-4-heptanol	164.83
DEF	379.03
dimethyl isosorbide	520.4
tetrachloroethylene	819.1
eugenol	299.55
triacetin	350.53
span 80	301.24
1,4-butanediol	145.46
1,1-dichloroethane	850.51
2-methyl-1-pentanol	243.45
methyl formate	266.61
2-methyl-1-butanol	249.73
n-decane	51.55
butyronitrile	499.98
3,7-dimethyl-1-octanol	209.18
1-chlorooctane	188.23
1-chlorotetradecane	83.8
n-nonane	50.24
undecane	39.31
tert-butylcyclohexane	59.78
cyclooctane	47.04
cyclopentanol	398.56
tetrahydropyran	866.45
tert-amyl methyl ether	272.33
2,5,8-trioxanonane	532.49
1-hexene	169.26
2-isopropoxyethanol	280.0
2,2,2-trifluoroethanol	152.74
methyl butyrate	376.49

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