Molecular formula
C10H18OS

SMILES
CC(C)CC(=S)OCC=C(C)C

Fragrance
Fruity	88.08%
Sulfurous	76.37%
Tropical	73.67%
Cheesy	52.27%
Ripe	34.21%
Herbal	30.89%
Pineapple	30.32%
Black currant	29.71%
Grape	28.2%
Vegetable	26.28%

 

Flavor
Fruity	66.22%
Green	54.79%
Sweet	45.97%
Tropical	38.76%
Herbal	37.67%
Apple	34.79%
Berry	32.24%
Pineapple	30.28%
Banana	28.93%
Fruit	27.77%

 

Odor impact est.
Low

XLogP3-AA
3.5

pKa est.
10.51 (weak base)

Molecular weight
186.32 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
254°C

Flash point

• 68.49 ˚C est.

O-(3-methylbut-2-enyl) 3-methylbutanethioate is a thioester that can be used as an odorant in perfumery; as a fragrance ingredient in cosmetics and personal care; as a scent additive for household products such as air fresheners and cleaners; as an intermediate in industrial fragrance-chemical synthesis; and as a reactive precursor in the development of aroma chemicals for coatings and inks.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	411.61
methanol	328.13
isopropanol	416.56
water	0.54
ethyl acetate	369.08
n-propanol	366.93
acetone	614.66
n-butanol	402.6
acetonitrile	329.32
DMF	466.62
toluene	283.98
isobutanol	313.17
1,4-dioxane	835.85
methyl acetate	350.81
THF	1334.84
2-butanone	446.82
n-pentanol	320.16
sec-butanol	413.64
n-hexane	196.29
ethylene glycol	82.84
NMP	596.85
cyclohexane	370.22
DMSO	516.65
n-butyl acetate	523.89
n-octanol	400.56
chloroform	1664.02
n-propyl acetate	317.12
acetic acid	594.94
dichloromethane	941.59
cyclohexanone	798.11
propylene glycol	217.0
isopropyl acetate	279.7
DMAc	456.78
2-ethoxyethanol	351.49
isopentanol	369.58
n-heptane	209.69
ethyl formate	243.53
1,2-dichloroethane	524.82
n-hexanol	584.91
2-methoxyethanol	463.71
isobutyl acetate	270.49
tetrachloromethane	274.88
n-pentyl acetate	323.76
transcutol	1403.31
n-heptanol	287.84
ethylbenzene	202.35
MIBK	290.63
2-propoxyethanol	606.33
tert-butanol	639.33
MTBE	510.23
2-butoxyethanol	382.69
propionic acid	331.67
o-xylene	222.34
formic acid	105.9
diethyl ether	394.6
m-xylene	236.39
p-xylene	291.08
chlorobenzene	446.02
dimethyl carbonate	114.24
n-octane	81.61
formamide	119.52
cyclopentanone	770.3
2-pentanone	402.06
anisole	364.08
cyclopentyl methyl ether	579.1
gamma-butyrolactone	671.09
1-methoxy-2-propanol	469.85
pyridine	523.22
3-pentanone	279.29
furfural	624.21
n-dodecane	70.91
diethylene glycol	371.98
diisopropyl ether	188.72
tert-amyl alcohol	508.0
acetylacetone	441.13
n-hexadecane	78.95
acetophenone	346.17
methyl propionate	250.71
isopentyl acetate	507.12
trichloroethylene	1097.15
n-nonanol	356.37
cyclohexanol	586.83
benzyl alcohol	298.23
2-ethylhexanol	412.26
isooctanol	242.29
dipropyl ether	411.35
1,2-dichlorobenzene	410.3
ethyl lactate	201.27
propylene carbonate	514.94
n-methylformamide	186.47
2-pentanol	358.13
n-pentane	152.05
1-propoxy-2-propanol	572.25
1-methoxy-2-propyl acetate	452.58
2-(2-methoxypropoxy) propanol	461.15
mesitylene	175.91
ε-caprolactone	617.31
p-cymene	210.76
epichlorohydrin	733.28
1,1,1-trichloroethane	798.16
2-aminoethanol	189.33
morpholine-4-carbaldehyde	623.6
sulfolane	770.25
2,2,4-trimethylpentane	94.06
2-methyltetrahydrofuran	899.43
n-hexyl acetate	543.95
isooctane	78.19
2-(2-butoxyethoxy)ethanol	605.38
sec-butyl acetate	250.48
tert-butyl acetate	385.07
decalin	145.03
glycerin	238.96
diglyme	859.53
acrylic acid	269.93
isopropyl myristate	268.45
n-butyric acid	543.76
acetyl acetate	317.05
di(2-ethylhexyl) phthalate	231.07
ethyl propionate	238.32
nitromethane	555.92
1,2-diethoxyethane	547.73
benzonitrile	409.74
trioctyl phosphate	180.52
1-bromopropane	397.45
gamma-valerolactone	820.22
n-decanol	272.88
triethyl phosphate	208.69
4-methyl-2-pentanol	234.6
propionitrile	269.18
vinylene carbonate	410.98
1,1,2-trichlorotrifluoroethane	625.32
DMS	319.89
cumene	166.74
2-octanol	251.03
2-hexanone	377.08
octyl acetate	340.05
limonene	336.09
1,2-dimethoxyethane	618.41
ethyl orthosilicate	218.49
tributyl phosphate	225.2
diacetone alcohol	445.31
N,N-dimethylaniline	257.07
acrylonitrile	266.43
aniline	320.37
1,3-propanediol	287.29
bromobenzene	467.55
dibromomethane	758.1
1,1,2,2-tetrachloroethane	1061.62
2-methyl-cyclohexyl acetate	404.23
tetrabutyl urea	274.55
diisobutyl methanol	258.91
2-phenylethanol	387.7
styrene	242.61
dioctyl adipate	358.42
dimethyl sulfate	167.83
ethyl butyrate	367.02
methyl lactate	189.69
butyl lactate	302.51
diethyl carbonate	256.45
propanediol butyl ether	468.63
triethyl orthoformate	307.55
p-tert-butyltoluene	215.23
methyl 4-tert-butylbenzoate	369.05
morpholine	856.67
tert-butylamine	444.65
n-dodecanol	223.43
dimethoxymethane	312.65
ethylene carbonate	359.48
cyrene	377.93
2-ethoxyethyl acetate	363.51
2-ethylhexyl acetate	407.63
1,2,4-trichlorobenzene	494.4
4-methylpyridine	547.71
dibutyl ether	442.66
2,6-dimethyl-4-heptanol	258.91
DEF	335.63
dimethyl isosorbide	703.16
tetrachloroethylene	613.95
eugenol	348.91
triacetin	481.4
span 80	534.75
1,4-butanediol	158.42
1,1-dichloroethane	661.75
2-methyl-1-pentanol	303.59
methyl formate	168.27
2-methyl-1-butanol	335.02
n-decane	114.04
butyronitrile	370.4
3,7-dimethyl-1-octanol	391.7
1-chlorooctane	306.21
1-chlorotetradecane	149.5
n-nonane	117.96
undecane	86.26
tert-butylcyclohexane	135.06
cyclooctane	135.71
cyclopentanol	536.45
tetrahydropyran	924.37
tert-amyl methyl ether	379.76
2,5,8-trioxanonane	659.6
1-hexene	334.52
2-isopropoxyethanol	302.05
2,2,2-trifluoroethanol	181.98
methyl butyrate	329.43

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