Molecular formula
C8H14OS

SMILES
CC(C)C=C(CSC)C=O

Fragrance
Spicy	68.97%
Herbal	68.85%
Onion	51.53%
Sulfurous	50.25%
Vegetable	42.93%
Meaty	42.92%
Green	37.56%
Pungent	35.27%
Roasted	30.07%
Savory	29.56%

 

Flavor
Cooked	26.98%
Onion	26.73%
Sulfurous	25.0%
Roasted	23.7%
Matches	22.3%
Burnt	21.3%
Cabbage	21.07%
Green	20.87%
Acrid	20.06%
Herbal	19.81%

 

Odor impact est.
High

XLogP3-AA
1.8

pKa est.
6.44 (neutral)

Molecular weight
158.26 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
226°C

Flash point

• 91.94 ˚C est.

• SCHEMBL16782949

4-Methyl-2-(methylsulfanylmethyl)pent-2-enal is primarily used as an odorant and fragrance intermediate in perfumery, and as a precursor for flavor/aroma compounds; it can also serve as a building block in industrial manufacturing for specialty chemicals, including polymers, coatings/inks, and adhesives, and may function as a reactive intermediate in the synthesis of advanced materials.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	323.95
methanol	346.36
isopropanol	266.79
water	0.45
ethyl acetate	152.72
n-propanol	248.14
acetone	322.27
n-butanol	254.38
acetonitrile	209.59
DMF	470.2
toluene	228.9
isobutanol	189.46
1,4-dioxane	412.24
methyl acetate	173.41
THF	625.63
2-butanone	257.13
n-pentanol	193.06
sec-butanol	206.37
n-hexane	47.3
ethylene glycol	76.12
NMP	428.95
cyclohexane	116.47
DMSO	394.76
n-butyl acetate	264.04
n-octanol	137.16
chloroform	945.13
n-propyl acetate	146.23
acetic acid	227.58
dichloromethane	716.62
cyclohexanone	534.86
propylene glycol	105.87
isopropyl acetate	99.61
DMAc	264.61
2-ethoxyethanol	186.47
isopentanol	189.42
n-heptane	67.6
ethyl formate	178.79
1,2-dichloroethane	377.69
n-hexanol	301.56
2-methoxyethanol	300.36
isobutyl acetate	110.43
tetrachloromethane	165.58
n-pentyl acetate	153.02
transcutol	494.04
n-heptanol	129.46
ethylbenzene	126.2
MIBK	133.2
2-propoxyethanol	305.13
tert-butanol	228.7
MTBE	147.9
2-butoxyethanol	185.44
propionic acid	181.36
o-xylene	141.08
formic acid	71.57
diethyl ether	154.1
m-xylene	156.56
p-xylene	148.64
chlorobenzene	287.43
dimethyl carbonate	66.78
n-octane	26.58
formamide	94.29
cyclopentanone	527.52
2-pentanone	216.17
anisole	189.46
cyclopentyl methyl ether	256.19
gamma-butyrolactone	459.72
1-methoxy-2-propanol	225.37
pyridine	500.87
3-pentanone	142.34
furfural	503.34
n-dodecane	19.72
diethylene glycol	213.14
diisopropyl ether	52.43
tert-amyl alcohol	169.33
acetylacetone	192.77
n-hexadecane	22.63
acetophenone	201.02
methyl propionate	131.63
isopentyl acetate	232.8
trichloroethylene	818.69
n-nonanol	117.85
cyclohexanol	306.15
benzyl alcohol	192.98
2-ethylhexanol	186.83
isooctanol	104.62
dipropyl ether	164.78
1,2-dichlorobenzene	268.11
ethyl lactate	97.37
propylene carbonate	293.2
n-methylformamide	216.92
2-pentanol	159.04
n-pentane	51.41
1-propoxy-2-propanol	246.63
1-methoxy-2-propyl acetate	192.03
2-(2-methoxypropoxy) propanol	175.96
mesitylene	102.79
ε-caprolactone	375.34
p-cymene	123.23
epichlorohydrin	475.3
1,1,1-trichloroethane	403.16
2-aminoethanol	138.6
morpholine-4-carbaldehyde	396.18
sulfolane	493.95
2,2,4-trimethylpentane	22.32
2-methyltetrahydrofuran	404.57
n-hexyl acetate	207.76
isooctane	21.07
2-(2-butoxyethoxy)ethanol	225.03
sec-butyl acetate	99.78
tert-butyl acetate	121.11
decalin	46.57
glycerin	121.01
diglyme	395.18
acrylic acid	170.28
isopropyl myristate	96.35
n-butyric acid	253.29
acetyl acetate	98.63
di(2-ethylhexyl) phthalate	107.09
ethyl propionate	110.01
nitromethane	303.15
1,2-diethoxyethane	201.34
benzonitrile	325.28
trioctyl phosphate	79.49
1-bromopropane	258.59
gamma-valerolactone	582.78
n-decanol	89.67
triethyl phosphate	93.6
4-methyl-2-pentanol	89.52
propionitrile	207.32
vinylene carbonate	302.24
1,1,2-trichlorotrifluoroethane	345.76
DMS	124.18
cumene	87.77
2-octanol	95.44
2-hexanone	184.04
octyl acetate	118.4
limonene	169.83
1,2-dimethoxyethane	324.37
ethyl orthosilicate	93.34
tributyl phosphate	89.51
diacetone alcohol	166.21
N,N-dimethylaniline	133.96
acrylonitrile	262.73
aniline	214.21
1,3-propanediol	193.04
bromobenzene	299.71
dibromomethane	521.66
1,1,2,2-tetrachloroethane	601.31
2-methyl-cyclohexyl acetate	176.38
tetrabutyl urea	130.73
diisobutyl methanol	110.09
2-phenylethanol	228.42
styrene	155.58
dioctyl adipate	140.77
dimethyl sulfate	97.66
ethyl butyrate	173.39
methyl lactate	98.61
butyl lactate	143.83
diethyl carbonate	127.38
propanediol butyl ether	190.85
triethyl orthoformate	132.45
p-tert-butyltoluene	110.74
methyl 4-tert-butylbenzoate	176.21
morpholine	478.76
tert-butylamine	164.97
n-dodecanol	71.48
dimethoxymethane	217.62
ethylene carbonate	222.66
cyrene	182.15
2-ethoxyethyl acetate	174.19
2-ethylhexyl acetate	197.56
1,2,4-trichlorobenzene	302.9
4-methylpyridine	423.72
dibutyl ether	141.44
2,6-dimethyl-4-heptanol	110.09
DEF	207.85
dimethyl isosorbide	297.18
tetrachloroethylene	419.95
eugenol	187.28
triacetin	163.21
span 80	194.9
1,4-butanediol	102.32
1,1-dichloroethane	398.21
2-methyl-1-pentanol	155.24
methyl formate	168.16
2-methyl-1-butanol	174.36
n-decane	32.48
butyronitrile	282.25
3,7-dimethyl-1-octanol	133.15
1-chlorooctane	111.89
1-chlorotetradecane	48.84
n-nonane	33.72
undecane	24.44
tert-butylcyclohexane	40.06
cyclooctane	39.62
cyclopentanol	283.15
tetrahydropyran	490.39
tert-amyl methyl ether	119.83
2,5,8-trioxanonane	279.02
1-hexene	129.73
2-isopropoxyethanol	140.92
2,2,2-trifluoroethanol	72.55
methyl butyrate	170.01

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