Molecular formula
C9H12O2

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

Fragrance
Fruity	83.7%
Sweet	53.87%
Green	53.76%
Tropical	46.89%
Pineapple	45.57%
Apple	35.25%
Caramellic	34.06%
Spicy	33.31%
Berry	29.64%
Sharp	29.08%

 

Flavor
Sweet	31.69%
Fruity	31.67%
Spicy	26.26%
Filbert	20.84%
Dry	19.99%
Mouldy	19.98%
Pungent	19.86%
Ocimene	19.83%
Cucumber skin	19.42%
Acetoin	19.33%

 

Odor impact est.
High

XLogP3-AA
2.4

pKa est.
8.31 (weak base)

Molecular weight
152.19 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
197°C

Flash point

• 66.56 ˚C est.

• DTXSID10865566
• prop-1-en-2-yl hexa-2,4-dienoate

Prop-1-en-2-yl hexa-2,4-dienoate is an ester of hexadienoic acid bearing an alkenyl (propenyl) group; it is commonly viewed as an intermediate in organic synthesis and can function as a monomer or crosslinking agent in specialized polymer systems. In the polymers/plastics sector, it may serve as a monomer or additive to improve mechanical properties and processability. In coatings and inks, it can act as a comonomer or additive to enhance adhesion and formulation stability of coatings and printed products. In cosmetics and personal care, it can be used as a fragrance ingredient or a fixative to help retain scent. In perfumery/fragrance applications, it can serve as an odorant component. In industrial manufacturing, it is often considered an intermediate for building more complex structures. In household products and cleaning formulations, it may appear as a fragrance component or solvent in scent and cleaning product formulas. Note: usage is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	358.07
methanol	341.77
isopropanol	287.14
water	0.5
ethyl acetate	331.96
n-propanol	264.75
acetone	551.71
n-butanol	293.61
acetonitrile	226.35
DMF	938.69
toluene	129.41
isobutanol	209.97
1,4-dioxane	553.12
methyl acetate	315.53
THF	1107.09
2-butanone	359.21
n-pentanol	212.28
sec-butanol	264.24
n-hexane	66.54
ethylene glycol	74.37
NMP	1008.03
cyclohexane	64.1
DMSO	696.77
n-butyl acetate	243.6
n-octanol	152.64
chloroform	507.75
n-propyl acetate	172.36
acetic acid	431.88
dichloromethane	426.69
cyclohexanone	533.28
propylene glycol	138.59
isopropyl acetate	233.38
DMAc	838.95
2-ethoxyethanol	238.57
isopentanol	262.86
n-heptane	29.93
ethyl formate	175.7
1,2-dichloroethane	298.47
n-hexanol	290.3
2-methoxyethanol	482.37
isobutyl acetate	130.35
tetrachloromethane	46.44
n-pentyl acetate	149.55
transcutol	950.21
n-heptanol	98.1
ethylbenzene	93.45
MIBK	227.03
2-propoxyethanol	418.57
tert-butanol	415.56
MTBE	329.92
2-butoxyethanol	171.99
propionic acid	276.66
o-xylene	103.22
formic acid	103.21
diethyl ether	322.7
m-xylene	116.77
p-xylene	113.3
chlorobenzene	195.17
dimethyl carbonate	160.97
n-octane	15.11
formamide	122.17
cyclopentanone	673.23
2-pentanone	350.57
anisole	226.15
cyclopentyl methyl ether	498.12
gamma-butyrolactone	718.82
1-methoxy-2-propanol	472.67
pyridine	320.38
3-pentanone	250.62
furfural	475.32
n-dodecane	18.47
diethylene glycol	274.39
diisopropyl ether	110.98
tert-amyl alcohol	348.85
acetylacetone	398.72
n-hexadecane	20.73
acetophenone	203.12
methyl propionate	300.38
isopentyl acetate	237.52
trichloroethylene	567.0
n-nonanol	134.27
cyclohexanol	300.5
benzyl alcohol	164.27
2-ethylhexanol	168.02
isooctanol	86.83
dipropyl ether	162.27
1,2-dichlorobenzene	179.24
ethyl lactate	119.87
propylene carbonate	411.36
n-methylformamide	251.5
2-pentanol	241.97
n-pentane	47.6
1-propoxy-2-propanol	312.74
1-methoxy-2-propyl acetate	293.98
2-(2-methoxypropoxy) propanol	305.31
mesitylene	79.7
ε-caprolactone	447.88
p-cymene	69.73
epichlorohydrin	648.8
1,1,1-trichloroethane	282.74
2-aminoethanol	152.05
morpholine-4-carbaldehyde	653.97
sulfolane	880.48
2,2,4-trimethylpentane	33.9
2-methyltetrahydrofuran	716.14
n-hexyl acetate	320.59
isooctane	26.03
2-(2-butoxyethoxy)ethanol	359.19
sec-butyl acetate	140.65
tert-butyl acetate	291.67
decalin	51.34
glycerin	175.39
diglyme	479.3
acrylic acid	231.48
isopropyl myristate	124.86
n-butyric acid	376.73
acetyl acetate	237.02
di(2-ethylhexyl) phthalate	131.42
ethyl propionate	193.18
nitromethane	579.68
1,2-diethoxyethane	279.26
benzonitrile	188.16
trioctyl phosphate	88.68
1-bromopropane	209.85
gamma-valerolactone	734.35
n-decanol	101.73
triethyl phosphate	105.15
4-methyl-2-pentanol	139.29
propionitrile	187.46
vinylene carbonate	322.48
1,1,2-trichlorotrifluoroethane	398.69
DMS	258.0
cumene	77.43
2-octanol	84.38
2-hexanone	214.34
octyl acetate	164.77
limonene	122.22
1,2-dimethoxyethane	469.66
ethyl orthosilicate	100.12
tributyl phosphate	124.41
diacetone alcohol	356.22
N,N-dimethylaniline	179.11
acrylonitrile	216.25
aniline	177.99
1,3-propanediol	225.51
bromobenzene	194.01
dibromomethane	308.24
1,1,2,2-tetrachloroethane	479.88
2-methyl-cyclohexyl acetate	190.7
tetrabutyl urea	172.61
diisobutyl methanol	92.72
2-phenylethanol	188.76
styrene	120.54
dioctyl adipate	189.87
dimethyl sulfate	293.54
ethyl butyrate	167.74
methyl lactate	192.66
butyl lactate	140.4
diethyl carbonate	126.89
propanediol butyl ether	234.25
triethyl orthoformate	135.32
p-tert-butyltoluene	71.93
methyl 4-tert-butylbenzoate	222.03
morpholine	649.72
tert-butylamine	241.03
n-dodecanol	79.02
dimethoxymethane	481.56
ethylene carbonate	258.58
cyrene	253.16
2-ethoxyethyl acetate	212.25
2-ethylhexyl acetate	187.81
1,2,4-trichlorobenzene	230.46
4-methylpyridine	376.6
dibutyl ether	192.31
2,6-dimethyl-4-heptanol	92.72
DEF	441.72
dimethyl isosorbide	481.18
tetrachloroethylene	245.64
eugenol	203.44
triacetin	293.56
span 80	268.96
1,4-butanediol	92.86
1,1-dichloroethane	305.67
2-methyl-1-pentanol	216.07
methyl formate	211.89
2-methyl-1-butanol	241.22
n-decane	27.25
butyronitrile	235.38
3,7-dimethyl-1-octanol	163.1
1-chlorooctane	108.55
1-chlorotetradecane	49.5
n-nonane	26.11
undecane	21.92
tert-butylcyclohexane	51.77
cyclooctane	23.22
cyclopentanol	353.55
tetrahydropyran	572.33
tert-amyl methyl ether	292.62
2,5,8-trioxanonane	420.37
1-hexene	175.06
2-isopropoxyethanol	195.15
2,2,2-trifluoroethanol	109.98
methyl butyrate	241.25

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