Molecular formula
C7H12OS

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

Fragrance
Fruity	96.1%
Tropical	72.26%
Sulfurous	61.63%
Cheesy	52.75%
Pineapple	48.44%
Ripe	40.25%
Grape	34.57%
Sweet	30.69%
Onion	24.99%
Pungent	24.68%

 

Flavor
Fruity	45.24%
Pungent	33.84%
Cheese	29.69%
Tropical	28.62%
Butter	25.71%
Onion	24.2%
Berry	22.63%
Cooked	22.42%
Ethereal	21.79%
Roquefort cheese	20.75%

 

Odor impact est.
Low

XLogP3-AA
2.4

pKa est.
10.35 (weak base)

Molecular weight
144.24 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
186°C

Flash point

• 36.4 ˚C est.

O-prop-2-enyl 2-methylpropanethioate is primarily utilized as an organic-synthesis intermediate and a building block for sulfur-containing esters; the allyl (O-prop-2-enyl) moiety supports protecting-group strategies and late-stage functionalization. In industrial contexts, it may function as a reactive intermediate or crosslinking component in coatings and inks; it can serve as a potential monomer or co-monomer precursor for sulfur-containing polymer architectures; and it may be explored as a fragrance or odorant precursor in perfumery and fragrance chemistry, with additional consideration in pharmaceutical or agrochemical R&D under appropriate regulatory controls.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	141.73
methanol	126.36
isopropanol	127.22
water	0.32
ethyl acetate	285.45
n-propanol	136.17
acetone	424.76
n-butanol	152.74
acetonitrile	320.54
DMF	350.83
toluene	251.79
isobutanol	116.93
1,4-dioxane	480.29
methyl acetate	369.79
THF	644.71
2-butanone	459.57
n-pentanol	157.1
sec-butanol	165.14
n-hexane	54.5
ethylene glycol	24.18
NMP	501.0
cyclohexane	115.47
DMSO	412.0
n-butyl acetate	477.34
n-octanol	170.1
chloroform	967.99
n-propyl acetate	324.58
acetic acid	190.32
dichloromethane	978.4
cyclohexanone	570.56
propylene glycol	34.85
isopropyl acetate	175.28
DMAc	469.01
2-ethoxyethanol	204.56
isopentanol	154.02
n-heptane	83.82
ethyl formate	221.73
1,2-dichloroethane	497.21
n-hexanol	208.03
2-methoxyethanol	199.76
isobutyl acetate	193.27
tetrachloromethane	213.68
n-pentyl acetate	273.79
transcutol	643.29
n-heptanol	125.47
ethylbenzene	198.91
MIBK	177.07
2-propoxyethanol	248.94
tert-butanol	193.08
MTBE	272.34
2-butoxyethanol	185.29
propionic acid	151.17
o-xylene	198.72
formic acid	36.3
diethyl ether	231.7
m-xylene	174.24
p-xylene	306.18
chlorobenzene	369.37
dimethyl carbonate	85.09
n-octane	41.54
formamide	70.66
cyclopentanone	571.43
2-pentanone	300.35
anisole	325.39
cyclopentyl methyl ether	260.73
gamma-butyrolactone	529.45
1-methoxy-2-propanol	160.58
pyridine	523.14
3-pentanone	278.77
furfural	549.13
n-dodecane	38.07
diethylene glycol	135.33
diisopropyl ether	98.13
tert-amyl alcohol	209.29
acetylacetone	301.81
n-hexadecane	43.31
acetophenone	355.67
methyl propionate	203.26
isopentyl acetate	368.18
trichloroethylene	1039.32
n-nonanol	157.63
cyclohexanol	196.7
benzyl alcohol	221.78
2-ethylhexanol	198.79
isooctanol	115.2
dipropyl ether	270.51
1,2-dichlorobenzene	378.98
ethyl lactate	120.31
propylene carbonate	345.52
n-methylformamide	145.19
2-pentanol	124.84
n-pentane	48.76
1-propoxy-2-propanol	238.3
1-methoxy-2-propyl acetate	277.52
2-(2-methoxypropoxy) propanol	249.99
mesitylene	128.52
ε-caprolactone	472.12
p-cymene	191.96
epichlorohydrin	631.94
1,1,1-trichloroethane	631.91
2-aminoethanol	50.5
morpholine-4-carbaldehyde	480.27
sulfolane	627.63
2,2,4-trimethylpentane	37.74
2-methyltetrahydrofuran	529.23
n-hexyl acetate	347.85
isooctane	28.19
2-(2-butoxyethoxy)ethanol	287.07
sec-butyl acetate	204.96
tert-butyl acetate	217.85
decalin	71.34
glycerin	47.85
diglyme	568.81
acrylic acid	140.28
isopropyl myristate	179.3
n-butyric acid	210.02
acetyl acetate	200.11
di(2-ethylhexyl) phthalate	155.16
ethyl propionate	236.05
nitromethane	392.79
1,2-diethoxyethane	411.6
benzonitrile	407.48
trioctyl phosphate	118.7
1-bromopropane	337.31
gamma-valerolactone	593.39
n-decanol	125.47
triethyl phosphate	172.94
4-methyl-2-pentanol	86.82
propionitrile	250.93
vinylene carbonate	339.27
1,1,2-trichlorotrifluoroethane	332.3
DMS	239.35
cumene	143.8
2-octanol	117.01
2-hexanone	374.46
octyl acetate	207.18
limonene	258.68
1,2-dimethoxyethane	525.6
ethyl orthosilicate	168.85
tributyl phosphate	157.44
diacetone alcohol	193.93
N,N-dimethylaniline	224.59
acrylonitrile	303.32
aniline	184.83
1,3-propanediol	93.49
bromobenzene	445.72
dibromomethane	660.5
1,1,2,2-tetrachloroethane	729.85
2-methyl-cyclohexyl acetate	295.8
tetrabutyl urea	193.74
diisobutyl methanol	130.03
2-phenylethanol	235.82
styrene	257.01
dioctyl adipate	246.9
dimethyl sulfate	147.69
ethyl butyrate	368.5
methyl lactate	86.23
butyl lactate	175.25
diethyl carbonate	256.34
propanediol butyl ether	160.5
triethyl orthoformate	240.25
p-tert-butyltoluene	173.2
methyl 4-tert-butylbenzoate	262.68
morpholine	409.54
tert-butylamine	141.45
n-dodecanol	103.35
dimethoxymethane	196.44
ethylene carbonate	243.6
cyrene	244.21
2-ethoxyethyl acetate	317.18
2-ethylhexyl acetate	333.14
1,2,4-trichlorobenzene	456.96
4-methylpyridine	541.79
dibutyl ether	277.94
2,6-dimethyl-4-heptanol	130.03
DEF	312.13
dimethyl isosorbide	435.97
tetrachloroethylene	462.38
eugenol	240.28
triacetin	323.94
span 80	224.54
1,4-butanediol	61.7
1,1-dichloroethane	544.93
2-methyl-1-pentanol	168.36
methyl formate	142.14
2-methyl-1-butanol	143.85
n-decane	59.25
butyronitrile	294.02
3,7-dimethyl-1-octanol	184.78
1-chlorooctane	175.97
1-chlorotetradecane	86.41
n-nonane	59.33
undecane	45.96
tert-butylcyclohexane	62.83
cyclooctane	45.34
cyclopentanol	207.87
tetrahydropyran	449.67
tert-amyl methyl ether	223.39
2,5,8-trioxanonane	416.63
1-hexene	168.9
2-isopropoxyethanol	179.31
2,2,2-trifluoroethanol	70.31
methyl butyrate	350.3

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