Molecular formula
C11H18O3

SMILES
CC/C=C/CCOC(=O)CCC(=O)C

Fragrance
Green	87.01%
Fruity	79.81%
Waxy	50.96%
Sweet	49.47%
Tropical	48.99%
Caramellic	46.17%
Earthy	46.01%
Floral	44.95%
Apple	43.87%
Mushroom	42.6%

 

Flavor
Fruity	81.39%
Green	66.14%
Apple	52.26%
Pineapple	50.21%
Sweet	47.68%
Tropical	46.4%
Fresh	44.14%
Pear	39.72%
Banana	34.99%
Fruit	34.02%

 

Odor impact est.
Medium

XLogP3-AA
1.5

pKa est.
8.31 (weak base)

Molecular weight
198.26 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
263°C

Flash point

• 127.09 ˚C est.

[(E)-hex-3-enyl] 4-oxopentanoate is used as a fragrance ingredient and fragrance intermediate in perfumery and cosmetics; it may also serve as a flavor precursor or aroma building block in flavor formulations. Its 1,3-dicarbonyl motif makes it a versatile intermediate for organic synthesis in pharmaceutical or agrochemical development and as a building block for specialty polymers or coatings after further functionalization. All applications are subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	526.4
methanol	706.23
isopropanol	340.42
water	0.87
ethyl acetate	305.4
n-propanol	282.39
acetone	455.98
n-butanol	248.28
acetonitrile	396.8
DMF	779.78
toluene	119.96
isobutanol	193.7
1,4-dioxane	554.65
methyl acetate	313.35
THF	614.99
2-butanone	323.36
n-pentanol	222.24
sec-butanol	257.33
n-hexane	23.59
ethylene glycol	91.83
NMP	567.06
cyclohexane	21.53
DMSO	945.57
n-butyl acetate	227.39
n-octanol	72.47
chloroform	737.43
n-propyl acetate	200.54
acetic acid	466.86
dichloromethane	737.25
cyclohexanone	386.4
propylene glycol	129.21
isopropyl acetate	197.39
DMAc	1008.92
2-ethoxyethanol	451.14
isopentanol	245.0
n-heptane	8.14
ethyl formate	182.93
1,2-dichloroethane	426.96
n-hexanol	161.41
2-methoxyethanol	593.9
isobutyl acetate	145.04
tetrachloromethane	72.97
n-pentyl acetate	113.61
transcutol	1388.72
n-heptanol	58.13
ethylbenzene	98.6
MIBK	181.87
2-propoxyethanol	339.85
tert-butanol	421.57
MTBE	329.25
2-butoxyethanol	165.89
propionic acid	246.9
o-xylene	103.39
formic acid	187.2
diethyl ether	265.61
m-xylene	93.35
p-xylene	126.23
chlorobenzene	186.91
dimethyl carbonate	104.87
n-octane	4.46
formamide	295.17
cyclopentanone	420.46
2-pentanone	242.67
anisole	257.72
cyclopentyl methyl ether	249.91
gamma-butyrolactone	456.55
1-methoxy-2-propanol	389.34
pyridine	389.52
3-pentanone	182.33
furfural	462.36
n-dodecane	5.3
diethylene glycol	284.78
diisopropyl ether	67.9
tert-amyl alcohol	336.23
acetylacetone	352.31
n-hexadecane	6.07
acetophenone	239.96
methyl propionate	212.44
isopentyl acetate	226.11
trichloroethylene	746.23
n-nonanol	67.34
cyclohexanol	209.24
benzyl alcohol	202.13
2-ethylhexanol	101.31
isooctanol	53.95
dipropyl ether	97.04
1,2-dichlorobenzene	192.24
ethyl lactate	106.69
propylene carbonate	264.49
n-methylformamide	289.1
2-pentanol	162.94
n-pentane	13.99
1-propoxy-2-propanol	213.28
1-methoxy-2-propyl acetate	236.72
2-(2-methoxypropoxy) propanol	271.55
mesitylene	58.23
ε-caprolactone	363.04
p-cymene	51.29
epichlorohydrin	576.17
1,1,1-trichloroethane	325.33
2-aminoethanol	197.81
morpholine-4-carbaldehyde	621.07
sulfolane	578.79
2,2,4-trimethylpentane	15.3
2-methyltetrahydrofuran	432.86
n-hexyl acetate	181.8
isooctane	9.34
2-(2-butoxyethoxy)ethanol	338.56
sec-butyl acetate	160.63
tert-butyl acetate	242.73
decalin	25.8
glycerin	179.91
diglyme	623.61
acrylic acid	201.84
isopropyl myristate	71.93
n-butyric acid	319.81
acetyl acetate	223.43
di(2-ethylhexyl) phthalate	88.11
ethyl propionate	176.8
nitromethane	666.19
1,2-diethoxyethane	326.18
benzonitrile	231.0
trioctyl phosphate	51.36
1-bromopropane	227.32
gamma-valerolactone	584.27
n-decanol	49.2
triethyl phosphate	93.69
4-methyl-2-pentanol	102.25
propionitrile	240.11
vinylene carbonate	237.9
1,1,2-trichlorotrifluoroethane	469.3
DMS	186.68
cumene	71.05
2-octanol	42.79
2-hexanone	217.85
octyl acetate	86.64
limonene	78.39
1,2-dimethoxyethane	643.22
ethyl orthosilicate	93.98
tributyl phosphate	85.34
diacetone alcohol	274.47
N,N-dimethylaniline	193.76
acrylonitrile	298.79
aniline	190.58
1,3-propanediol	287.64
bromobenzene	197.07
dibromomethane	433.58
1,1,2,2-tetrachloroethane	668.93
2-methyl-cyclohexyl acetate	151.52
tetrabutyl urea	110.75
diisobutyl methanol	58.71
2-phenylethanol	156.85
styrene	133.81
dioctyl adipate	132.7
dimethyl sulfate	218.36
ethyl butyrate	153.73
methyl lactate	129.18
butyl lactate	114.29
diethyl carbonate	122.6
propanediol butyl ether	193.47
triethyl orthoformate	116.26
p-tert-butyltoluene	50.01
methyl 4-tert-butylbenzoate	172.6
morpholine	677.99
tert-butylamine	239.99
n-dodecanol	37.3
dimethoxymethane	354.58
ethylene carbonate	198.2
cyrene	223.91
2-ethoxyethyl acetate	213.27
2-ethylhexyl acetate	177.27
1,2,4-trichlorobenzene	247.81
4-methylpyridine	406.66
dibutyl ether	111.51
2,6-dimethyl-4-heptanol	58.71
DEF	355.5
dimethyl isosorbide	370.36
tetrachloroethylene	365.39
eugenol	183.86
triacetin	241.02
span 80	189.31
1,4-butanediol	134.89
1,1-dichloroethane	384.63
2-methyl-1-pentanol	227.0
methyl formate	190.24
2-methyl-1-butanol	219.3
n-decane	8.7
butyronitrile	252.8
3,7-dimethyl-1-octanol	94.48
1-chlorooctane	46.68
1-chlorotetradecane	20.07
n-nonane	7.79
undecane	6.58
tert-butylcyclohexane	25.0
cyclooctane	6.93
cyclopentanol	198.25
tetrahydropyran	378.34
tert-amyl methyl ether	251.59
2,5,8-trioxanonane	460.11
1-hexene	107.88
2-isopropoxyethanol	290.29
2,2,2-trifluoroethanol	134.57
methyl butyrate	253.88

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