Molecular formula
C9H16O2

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

Fragrance
Fruity	93.71%
Green	73.4%
Apple	62.01%
Tropical	54.29%
Pineapple	49.99%
Floral	49.57%
Sweet	48.58%
Winey	43.64%
Pear	42.52%
Waxy	39.35%

 

Flavor
Fruity	80.98%
Green	59.15%
Apple	54.29%
Sweet	52.21%
Fruit	44.9%
Tropical	43.44%
Pineapple	41.74%
Banana	40.18%
Rose	40.15%
Pear	40.03%

 

Odor impact est.
High

XLogP3-AA
2.4

pKa est.
9.22 (weak base)

Molecular weight
156.22 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
184°C

Flash point

• 70.0 ˚C est.

Ethyl 4-methylhex-4-enoate is an unsaturated ester bearing a branch, commonly considered a functional monomer for radical polymerization to form specialty polymers, including polyesters and acrylate copolymers used in coatings, paints, inks, and adhesives. It may also serve as a fragrance and flavor chemistry intermediate, providing building blocks for perfumery and flavor formulations, and can be used as a component in cosmetic and personal-care formulations. Furthermore, the compound can act as a precursor in organic synthesis for pharmaceutical and agrochemical R&D, and may participate as a reactive building block in specialty plastics and rubber systems, subject to local regulations and formulation conditions.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1998.15
methanol	2101.33
isopropanol	1693.04
water	3.5
ethyl acetate	852.59
n-propanol	1347.6
acetone	1072.23
n-butanol	1274.47
acetonitrile	951.77
DMF	1461.35
toluene	513.67
isobutanol	971.9
1,4-dioxane	2167.05
methyl acetate	758.31
THF	1711.77
2-butanone	818.0
n-pentanol	814.98
sec-butanol	1238.38
n-hexane	159.81
ethylene glycol	312.24
NMP	1012.44
cyclohexane	249.89
DMSO	987.79
n-butyl acetate	535.52
n-octanol	283.9
chloroform	2629.63
n-propyl acetate	379.89
acetic acid	1230.48
dichloromethane	1826.51
cyclohexanone	1112.48
propylene glycol	488.98
isopropyl acetate	502.54
DMAc	1264.07
2-ethoxyethanol	943.32
isopentanol	999.15
n-heptane	60.02
ethyl formate	446.83
1,2-dichloroethane	1014.07
n-hexanol	729.57
2-methoxyethanol	1585.19
isobutyl acetate	253.22
tetrachloromethane	404.56
n-pentyl acetate	301.27
transcutol	2194.93
n-heptanol	264.71
ethylbenzene	275.47
MIBK	371.89
2-propoxyethanol	959.88
tert-butanol	1850.91
MTBE	1212.74
2-butoxyethanol	459.53
propionic acid	783.41
o-xylene	312.98
formic acid	400.16
diethyl ether	1048.69
m-xylene	319.31
p-xylene	342.25
chlorobenzene	580.74
dimethyl carbonate	187.62
n-octane	27.48
formamide	510.04
cyclopentanone	987.31
2-pentanone	654.81
anisole	541.02
cyclopentyl methyl ether	760.06
gamma-butyrolactone	962.53
1-methoxy-2-propanol	1026.84
pyridine	1349.96
3-pentanone	451.19
furfural	890.05
n-dodecane	25.53
diethylene glycol	679.87
diisopropyl ether	245.04
tert-amyl alcohol	1305.48
acetylacetone	626.17
n-hexadecane	28.59
acetophenone	425.02
methyl propionate	499.12
isopentyl acetate	481.86
trichloroethylene	1794.6
n-nonanol	248.36
cyclohexanol	1025.45
benzyl alcohol	500.21
2-ethylhexanol	367.06
isooctanol	208.38
dipropyl ether	326.0
1,2-dichlorobenzene	486.97
ethyl lactate	200.33
propylene carbonate	522.5
n-methylformamide	646.53
2-pentanol	824.27
n-pentane	141.49
1-propoxy-2-propanol	572.94
1-methoxy-2-propyl acetate	461.87
2-(2-methoxypropoxy) propanol	479.89
mesitylene	179.74
ε-caprolactone	956.92
p-cymene	136.51
epichlorohydrin	1218.19
1,1,1-trichloroethane	1141.42
2-aminoethanol	734.57
morpholine-4-carbaldehyde	1289.39
sulfolane	919.4
2,2,4-trimethylpentane	73.0
2-methyltetrahydrofuran	1411.11
n-hexyl acetate	483.28
isooctane	48.66
2-(2-butoxyethoxy)ethanol	664.31
sec-butyl acetate	312.48
tert-butyl acetate	522.52
decalin	104.86
glycerin	505.85
diglyme	1074.89
acrylic acid	575.91
isopropyl myristate	174.4
n-butyric acid	1073.17
acetyl acetate	482.53
di(2-ethylhexyl) phthalate	186.33
ethyl propionate	358.71
nitromethane	1225.01
1,2-diethoxyethane	713.57
benzonitrile	583.42
trioctyl phosphate	117.57
1-bromopropane	790.04
gamma-valerolactone	1330.76
n-decanol	174.92
triethyl phosphate	166.46
4-methyl-2-pentanol	383.24
propionitrile	788.2
vinylene carbonate	491.22
1,1,2-trichlorotrifluoroethane	941.25
DMS	342.4
cumene	177.86
2-octanol	195.84
2-hexanone	433.9
octyl acetate	220.8
limonene	226.78
1,2-dimethoxyethane	1292.95
ethyl orthosilicate	181.53
tributyl phosphate	160.47
diacetone alcohol	560.04
N,N-dimethylaniline	361.73
acrylonitrile	775.27
aniline	681.73
1,3-propanediol	976.56
bromobenzene	610.39
dibromomethane	1286.3
1,1,2,2-tetrachloroethane	1644.93
2-methyl-cyclohexyl acetate	297.5
tetrabutyl urea	192.22
diisobutyl methanol	182.04
2-phenylethanol	438.96
styrene	372.43
dioctyl adipate	258.62
dimethyl sulfate	283.11
ethyl butyrate	335.69
methyl lactate	265.8
butyl lactate	242.29
diethyl carbonate	237.54
propanediol butyl ether	430.63
triethyl orthoformate	254.81
p-tert-butyltoluene	138.97
methyl 4-tert-butylbenzoate	334.45
morpholine	2662.25
tert-butylamine	1222.73
n-dodecanol	130.26
dimethoxymethane	689.25
ethylene carbonate	431.58
cyrene	365.26
2-ethoxyethyl acetate	442.97
2-ethylhexyl acetate	380.13
1,2,4-trichlorobenzene	575.65
4-methylpyridine	1261.65
dibutyl ether	333.13
2,6-dimethyl-4-heptanol	182.04
DEF	844.32
dimethyl isosorbide	615.12
tetrachloroethylene	1097.82
eugenol	357.35
triacetin	404.92
span 80	432.82
1,4-butanediol	371.84
1,1-dichloroethane	1322.74
2-methyl-1-pentanol	675.97
methyl formate	384.19
2-methyl-1-butanol	936.76
n-decane	42.68
butyronitrile	862.24
3,7-dimethyl-1-octanol	290.13
1-chlorooctane	172.87
1-chlorotetradecane	68.64
n-nonane	41.49
undecane	31.59
tert-butylcyclohexane	98.91
cyclooctane	58.64
cyclopentanol	915.09
tetrahydropyran	1896.72
tert-amyl methyl ether	743.85
2,5,8-trioxanonane	733.08
1-hexene	495.89
2-isopropoxyethanol	598.18
2,2,2-trifluoroethanol	316.09
methyl butyrate	493.25

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