Molecular formula
C10H16O2

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

Fragrance
Fruity	79.3%
Green	77.35%
Tropical	61.02%
Pineapple	49.42%
Apple	47.77%
Pear	47.13%
Sweet	46.1%
Melon	38.05%
Waxy	34.09%
Fresh	33.01%

 

Flavor
Fruity	41.73%
Tropical	37.17%
Green	33.32%
Sweet	32.25%
Floral	31.4%
Fresh	23.41%
Spicy	22.83%
Oily	22.74%
Melon	20.07%
Fatty	20.0%

 

Odor impact est.
High

XLogP3-AA
2.5

pKa est.
8.6 (weak base)

Molecular weight
168.23 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderate

Boiling point est.
211°C

Flash point

• 80.97 ˚C est.

Propan-2-yl hepta-3,5-dienoate is typically used as a reactive monomer or functional comonomer for specialty polymers and copolymers, enabling incorporation of conjugated diene functionality into polymer backbones. It may serve as a reactive diluent and plasticizer in coatings, inks, and adhesive formulations, helping adjust viscosity and flexibility. It can be prepared as an intermediate in organic synthesis to introduce the conjugated diene moiety for further transformations. The C=C bonds support radical or UV-curing processes, making it a potential crosslinking component in UV-curable resins. As an ester, it may be evaluated for use in specialty coating and polymer formulations under appropriate handling and regulatory guidelines.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	534.61
methanol	594.32
isopropanol	461.94
water	0.84
ethyl acetate	515.07
n-propanol	468.33
acetone	1071.29
n-butanol	497.38
acetonitrile	519.08
DMF	1540.96
toluene	368.98
isobutanol	413.59
1,4-dioxane	772.58
methyl acetate	520.93
THF	1386.54
2-butanone	750.37
n-pentanol	387.95
sec-butanol	474.12
n-hexane	297.19
ethylene glycol	137.8
NMP	1713.43
cyclohexane	224.34
DMSO	1609.64
n-butyl acetate	473.75
n-octanol	239.03
chloroform	1799.99
n-propyl acetate	318.63
acetic acid	841.14
dichloromethane	1461.65
cyclohexanone	1181.22
propylene glycol	231.18
isopropyl acetate	368.13
DMAc	1522.29
2-ethoxyethanol	405.93
isopentanol	470.68
n-heptane	77.85
ethyl formate	283.04
1,2-dichloroethane	940.69
n-hexanol	453.14
2-methoxyethanol	675.02
isobutyl acetate	238.9
tetrachloromethane	242.79
n-pentyl acetate	290.8
transcutol	1776.93
n-heptanol	159.7
ethylbenzene	246.95
MIBK	387.64
2-propoxyethanol	609.21
tert-butanol	689.41
MTBE	656.44
2-butoxyethanol	270.94
propionic acid	575.47
o-xylene	266.45
formic acid	217.89
diethyl ether	620.35
m-xylene	298.46
p-xylene	288.14
chlorobenzene	547.98
dimethyl carbonate	241.71
n-octane	29.81
formamide	250.06
cyclopentanone	1265.89
2-pentanone	658.46
anisole	425.63
cyclopentyl methyl ether	781.92
gamma-butyrolactone	1232.4
1-methoxy-2-propanol	615.39
pyridine	681.74
3-pentanone	535.8
furfural	878.16
n-dodecane	25.07
diethylene glycol	398.02
diisopropyl ether	207.16
tert-amyl alcohol	606.48
acetylacetone	680.88
n-hexadecane	28.67
acetophenone	415.24
methyl propionate	500.96
isopentyl acetate	455.74
trichloroethylene	1751.62
n-nonanol	201.91
cyclohexanol	603.51
benzyl alcohol	329.56
2-ethylhexanol	292.07
isooctanol	141.17
dipropyl ether	290.86
1,2-dichlorobenzene	530.23
ethyl lactate	185.49
propylene carbonate	673.87
n-methylformamide	469.26
2-pentanol	379.79
n-pentane	159.44
1-propoxy-2-propanol	464.42
1-methoxy-2-propyl acetate	451.04
2-(2-methoxypropoxy) propanol	444.42
mesitylene	190.49
ε-caprolactone	871.92
p-cymene	140.73
epichlorohydrin	1149.64
1,1,1-trichloroethane	966.76
2-aminoethanol	264.85
morpholine-4-carbaldehyde	993.32
sulfolane	1870.1
2,2,4-trimethylpentane	85.97
2-methyltetrahydrofuran	1080.75
n-hexyl acetate	535.8
isooctane	56.01
2-(2-butoxyethoxy)ethanol	542.04
sec-butyl acetate	253.89
tert-butyl acetate	466.07
decalin	126.65
glycerin	317.13
diglyme	791.95
acrylic acid	509.42
isopropyl myristate	191.46
n-butyric acid	660.33
acetyl acetate	388.03
di(2-ethylhexyl) phthalate	214.08
ethyl propionate	327.78
nitromethane	1092.3
1,2-diethoxyethane	484.54
benzonitrile	443.42
trioctyl phosphate	138.78
1-bromopropane	681.01
gamma-valerolactone	1143.59
n-decanol	143.46
triethyl phosphate	184.64
4-methyl-2-pentanol	230.87
propionitrile	406.68
vinylene carbonate	555.56
1,1,2-trichlorotrifluoroethane	881.22
DMS	413.01
cumene	170.82
2-octanol	136.4
2-hexanone	441.48
octyl acetate	248.13
limonene	251.46
1,2-dimethoxyethane	717.4
ethyl orthosilicate	180.48
tributyl phosphate	213.76
diacetone alcohol	506.74
N,N-dimethylaniline	330.72
acrylonitrile	514.71
aniline	426.66
1,3-propanediol	341.15
bromobenzene	628.05
dibromomethane	1075.6
1,1,2,2-tetrachloroethane	1610.19
2-methyl-cyclohexyl acetate	325.77
tetrabutyl urea	275.96
diisobutyl methanol	154.41
2-phenylethanol	326.34
styrene	310.53
dioctyl adipate	310.43
dimethyl sulfate	519.74
ethyl butyrate	289.03
methyl lactate	293.11
butyl lactate	260.77
diethyl carbonate	225.49
propanediol butyl ether	390.99
triethyl orthoformate	222.96
p-tert-butyltoluene	138.73
methyl 4-tert-butylbenzoate	345.94
morpholine	976.8
tert-butylamine	477.39
n-dodecanol	107.81
dimethoxymethane	594.88
ethylene carbonate	451.12
cyrene	410.46
2-ethoxyethyl acetate	379.31
2-ethylhexyl acetate	370.5
1,2,4-trichlorobenzene	639.98
4-methylpyridine	813.86
dibutyl ether	338.8
2,6-dimethyl-4-heptanol	154.41
DEF	780.52
dimethyl isosorbide	657.57
tetrachloroethylene	858.33
eugenol	313.4
triacetin	484.04
span 80	396.05
1,4-butanediol	171.61
1,1-dichloroethane	980.02
2-methyl-1-pentanol	407.64
methyl formate	347.74
2-methyl-1-butanol	469.65
n-decane	44.74
butyronitrile	491.71
3,7-dimethyl-1-octanol	270.93
1-chlorooctane	199.74
1-chlorotetradecane	76.09
n-nonane	46.83
undecane	32.05
tert-butylcyclohexane	119.5
cyclooctane	74.84
cyclopentanol	599.01
tetrahydropyran	963.95
tert-amyl methyl ether	536.07
2,5,8-trioxanonane	599.33
1-hexene	558.57
2-isopropoxyethanol	327.59
2,2,2-trifluoroethanol	264.01
methyl butyrate	411.94

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