Molecular formula
C8H12O3

SMILES
CC(=C)OC(=O)CCC(=O)C

Fragrance
Fruity	87.05%
Caramellic	68.45%
Sweet	58.04%
Winey	41.93%
Apple	40.65%
Green	40.19%
Burnt	38.67%
Buttery	36.97%
Creamy	33.42%
Tropical	32.46%

 

Flavor
Fruity	72.02%
Sweet	54.66%
Creamy	39.48%
Butter	35.61%
Fatty	35.48%
Buttery	35.1%
Green	33.78%
Caramel	33.68%
Tropical	31.2%
Sharp	30.15%

 

Odor impact est.
Medium

XLogP3-AA
0.6

pKa est.
8.41 (weak base)

Molecular weight
156.18 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
212°C

Flash point

• 83.42 ˚C est.

Prop-1-en-2-yl 4-oxopentanoate is primarily used as an intermediate in organic synthesis, providing a versatile building block for pharmaceutical and fine chemical routes. It can serve as a carboxyl-protecting group in multi-step syntheses, leveraging the allyl ester moiety for selective protection and deprotection under appropriate conditions. The gamma-keto ester framework enables synthetic routes to heterocycles and beta-dicarbonyl compounds, and it may be further derivatized to furnish functional monomers or additives for polymers and coatings. In practice, applications are typically limited to research-scale or specialty production under appropriate handling and regulatory controls.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	569.23
methanol	865.84
isopropanol	414.75
water	37.67
ethyl acetate	178.68
n-propanol	367.59
acetone	514.65
n-butanol	305.48
acetonitrile	311.85
DMF	1464.09
toluene	63.93
isobutanol	256.76
1,4-dioxane	352.05
methyl acetate	330.02
THF	457.3
2-butanone	378.9
n-pentanol	188.54
sec-butanol	330.53
n-hexane	28.57
ethylene glycol	205.09
NMP	962.56
cyclohexane	12.3
DMSO	813.7
n-butyl acetate	86.46
n-octanol	70.72
chloroform	323.98
n-propyl acetate	101.31
acetic acid	614.36
dichloromethane	280.13
cyclohexanone	313.77
propylene glycol	251.88
isopropyl acetate	109.61
DMAc	1614.71
2-ethoxyethanol	439.06
isopentanol	242.94
n-heptane	6.01
ethyl formate	241.72
1,2-dichloroethane	187.06
n-hexanol	116.58
2-methoxyethanol	870.62
isobutyl acetate	66.72
tetrachloromethane	44.3
n-pentyl acetate	54.8
transcutol	661.51
n-heptanol	43.66
ethylbenzene	54.52
MIBK	124.75
2-propoxyethanol	286.95
tert-butanol	418.14
MTBE	280.26
2-butoxyethanol	111.26
propionic acid	338.5
o-xylene	62.24
formic acid	469.08
diethyl ether	196.28
m-xylene	49.89
p-xylene	74.42
chlorobenzene	88.06
dimethyl carbonate	117.07
n-octane	3.01
formamide	494.69
cyclopentanone	372.26
2-pentanone	216.91
anisole	172.96
cyclopentyl methyl ether	185.79
gamma-butyrolactone	461.98
1-methoxy-2-propanol	505.35
pyridine	241.65
3-pentanone	163.02
furfural	465.6
n-dodecane	3.33
diethylene glycol	288.04
diisopropyl ether	44.22
tert-amyl alcohol	372.59
acetylacetone	231.22
n-hexadecane	3.74
acetophenone	168.36
methyl propionate	200.41
isopentyl acetate	91.96
trichloroethylene	350.26
n-nonanol	59.83
cyclohexanol	178.68
benzyl alcohol	153.82
2-ethylhexanol	60.64
isooctanol	35.06
dipropyl ether	52.23
1,2-dichlorobenzene	93.01
ethyl lactate	88.86
propylene carbonate	237.44
n-methylformamide	626.1
2-pentanol	166.58
n-pentane	18.48
1-propoxy-2-propanol	146.07
1-methoxy-2-propyl acetate	125.55
2-(2-methoxypropoxy) propanol	188.8
mesitylene	29.0
ε-caprolactone	289.99
p-cymene	23.7
epichlorohydrin	423.44
1,1,1-trichloroethane	151.65
2-aminoethanol	328.66
morpholine-4-carbaldehyde	777.05
sulfolane	529.97
2,2,4-trimethylpentane	13.96
2-methyltetrahydrofuran	343.75
n-hexyl acetate	118.06
isooctane	6.4
2-(2-butoxyethoxy)ethanol	211.45
sec-butyl acetate	78.72
tert-butyl acetate	133.61
decalin	14.74
glycerin	377.93
diglyme	353.48
acrylic acid	315.72
isopropyl myristate	40.54
n-butyric acid	291.74
acetyl acetate	122.21
di(2-ethylhexyl) phthalate	57.61
ethyl propionate	109.95
nitromethane	896.77
1,2-diethoxyethane	113.9
benzonitrile	134.34
trioctyl phosphate	32.49
1-bromopropane	130.09
gamma-valerolactone	617.81
n-decanol	40.21
triethyl phosphate	51.59
4-methyl-2-pentanol	87.19
propionitrile	187.65
vinylene carbonate	224.42
1,1,2-trichlorotrifluoroethane	428.96
DMS	123.09
cumene	42.47
2-octanol	33.28
2-hexanone	141.26
octyl acetate	53.46
limonene	36.68
1,2-dimethoxyethane	646.1
ethyl orthosilicate	49.47
tributyl phosphate	50.4
diacetone alcohol	215.73
N,N-dimethylaniline	137.6
acrylonitrile	248.6
aniline	143.97
1,3-propanediol	415.7
bromobenzene	70.12
dibromomethane	171.48
1,1,2,2-tetrachloroethane	292.38
2-methyl-cyclohexyl acetate	73.5
tetrabutyl urea	76.58
diisobutyl methanol	32.29
2-phenylethanol	97.66
styrene	67.84
dioctyl adipate	69.36
dimethyl sulfate	252.78
ethyl butyrate	63.59
methyl lactate	171.79
butyl lactate	66.86
diethyl carbonate	52.82
propanediol butyl ether	169.91
triethyl orthoformate	55.04
p-tert-butyltoluene	24.52
methyl 4-tert-butylbenzoate	114.05
morpholine	530.52
tert-butylamine	221.4
n-dodecanol	28.28
dimethoxymethane	428.74
ethylene carbonate	168.91
cyrene	183.76
2-ethoxyethyl acetate	93.15
2-ethylhexyl acetate	72.92
1,2,4-trichlorobenzene	136.67
4-methylpyridine	340.13
dibutyl ether	60.05
2,6-dimethyl-4-heptanol	32.29
DEF	347.3
dimethyl isosorbide	228.96
tetrachloroethylene	179.88
eugenol	121.73
triacetin	140.05
span 80	121.66
1,4-butanediol	160.33
1,1-dichloroethane	184.83
2-methyl-1-pentanol	172.65
methyl formate	412.58
2-methyl-1-butanol	246.85
n-decane	6.02
butyronitrile	192.98
3,7-dimethyl-1-octanol	72.64
1-chlorooctane	30.76
1-chlorotetradecane	11.59
n-nonane	5.64
undecane	4.32
tert-butylcyclohexane	15.74
cyclooctane	4.48
cyclopentanol	209.24
tetrahydropyran	247.09
tert-amyl methyl ether	224.14
2,5,8-trioxanonane	252.33
1-hexene	90.2
2-isopropoxyethanol	223.67
2,2,2-trifluoroethanol	239.69
methyl butyrate	161.61

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