Molecular formula
C8H14O2

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

Fragrance
Fruity	96.11%
Green	82.57%
Sweet	62.89%
Tropical	56.2%
Apple	56.15%
Floral	53.02%
Pineapple	47.7%
Banana	42.79%
Pear	42.54%
Fresh	41.57%

 

Flavor
Fruity	75.53%
Green	59.81%
Floral	50.13%
Sweet	47.84%
Rose	44.43%
Apple	43.53%
Bitter	40.94%
Fruit	38.05%
Tropical	37.26%
Fresh	36.09%

 

Odor impact est.
High

XLogP3-AA
2.0

pKa est.
9.07 (weak base)

Molecular weight
142.2 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Fast

Boiling point est.
172°C

Flash point

• 61.97 ˚C est.

• SCHEMBL9347603

Methyl 4-methylhex-4-enoate is primarily used as a reactive ester intermediate in organic synthesis, functioning as a monomer or comonomer for specialty polymers and UV-curable coatings, where the unsaturated bond enables radical polymerization. It also serves as a crosslinkable component in coatings and inks formulations, enhancing network formation. In the fragrance and flavor sector, it may be employed as an odorant precursor or fragrance intermediate. Additionally, it is utilized as a building block in the synthesis of other specialty chemicals, including pharmaceutical and agrochemical intermediates, subject to applicable regulatory and safety constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1362.84
methanol	1304.36
isopropanol	1069.24
water	5.51
ethyl acetate	576.77
n-propanol	904.3
acetone	534.77
n-butanol	801.38
acetonitrile	698.41
DMF	703.83
toluene	319.04
isobutanol	575.29
1,4-dioxane	1680.5
methyl acetate	559.12
THF	1013.34
2-butanone	467.14
n-pentanol	467.82
sec-butanol	792.71
n-hexane	34.21
ethylene glycol	228.29
NMP	456.05
cyclohexane	94.48
DMSO	496.65
n-butyl acetate	242.74
n-octanol	160.77
chloroform	1546.12
n-propyl acetate	214.69
acetic acid	717.37
dichloromethane	1182.9
cyclohexanone	549.23
propylene glycol	326.6
isopropyl acetate	263.66
DMAc	638.88
2-ethoxyethanol	651.75
isopentanol	552.07
n-heptane	23.17
ethyl formate	332.45
1,2-dichloroethane	554.68
n-hexanol	364.26
2-methoxyethanol	1149.3
isobutyl acetate	121.33
tetrachloromethane	243.91
n-pentyl acetate	151.04
transcutol	1340.72
n-heptanol	161.8
ethylbenzene	149.65
MIBK	178.99
2-propoxyethanol	550.46
tert-butanol	1162.23
MTBE	617.55
2-butoxyethanol	308.89
propionic acid	487.45
o-xylene	186.5
formic acid	316.8
diethyl ether	572.67
m-xylene	163.86
p-xylene	200.23
chlorobenzene	316.75
dimethyl carbonate	117.84
n-octane	10.77
formamide	492.18
cyclopentanone	458.98
2-pentanone	325.35
anisole	371.99
cyclopentyl methyl ether	360.66
gamma-butyrolactone	525.5
1-methoxy-2-propanol	694.06
pyridine	932.49
3-pentanone	229.11
furfural	591.82
n-dodecane	10.87
diethylene glycol	421.98
diisopropyl ether	104.36
tert-amyl alcohol	823.89
acetylacetone	339.11
n-hexadecane	12.1
acetophenone	249.91
methyl propionate	321.14
isopentyl acetate	215.34
trichloroethylene	1033.17
n-nonanol	145.72
cyclohexanol	572.75
benzyl alcohol	336.63
2-ethylhexanol	181.89
isooctanol	120.95
dipropyl ether	157.55
1,2-dichlorobenzene	269.67
ethyl lactate	110.46
propylene carbonate	292.21
n-methylformamide	446.37
2-pentanol	442.05
n-pentane	46.12
1-propoxy-2-propanol	314.34
1-methoxy-2-propyl acetate	253.29
2-(2-methoxypropoxy) propanol	291.16
mesitylene	90.39
ε-caprolactone	503.07
p-cymene	75.27
epichlorohydrin	791.64
1,1,1-trichloroethane	653.62
2-aminoethanol	550.2
morpholine-4-carbaldehyde	834.3
sulfolane	424.01
2,2,4-trimethylpentane	30.65
2-methyltetrahydrofuran	894.59
n-hexyl acetate	231.74
isooctane	17.63
2-(2-butoxyethoxy)ethanol	413.49
sec-butyl acetate	160.56
tert-butyl acetate	259.9
decalin	39.51
glycerin	351.83
diglyme	729.72
acrylic acid	375.9
isopropyl myristate	84.73
n-butyric acid	658.23
acetyl acetate	304.05
di(2-ethylhexyl) phthalate	100.94
ethyl propionate	199.95
nitromethane	831.2
1,2-diethoxyethane	376.41
benzonitrile	357.28
trioctyl phosphate	62.34
1-bromopropane	390.61
gamma-valerolactone	810.9
n-decanol	100.57
triethyl phosphate	94.11
4-methyl-2-pentanol	199.53
propionitrile	531.48
vinylene carbonate	309.39
1,1,2-trichlorotrifluoroethane	592.46
DMS	172.27
cumene	96.76
2-octanol	104.34
2-hexanone	205.36
octyl acetate	112.33
limonene	116.12
1,2-dimethoxyethane	832.89
ethyl orthosilicate	103.43
tributyl phosphate	77.33
diacetone alcohol	318.85
N,N-dimethylaniline	211.27
acrylonitrile	552.95
aniline	493.77
1,3-propanediol	713.19
bromobenzene	317.56
dibromomethane	731.69
1,1,2,2-tetrachloroethane	908.5
2-methyl-cyclohexyl acetate	165.99
tetrabutyl urea	95.85
diisobutyl methanol	93.94
2-phenylethanol	268.64
styrene	201.22
dioctyl adipate	136.05
dimethyl sulfate	159.69
ethyl butyrate	188.7
methyl lactate	163.44
butyl lactate	118.82
diethyl carbonate	138.88
propanediol butyl ether	260.89
triethyl orthoformate	145.47
p-tert-butyltoluene	76.65
methyl 4-tert-butylbenzoate	193.98
morpholine	1923.82
tert-butylamine	745.24
n-dodecanol	71.67
dimethoxymethane	444.44
ethylene carbonate	256.3
cyrene	232.62
2-ethoxyethyl acetate	259.04
2-ethylhexyl acetate	169.75
1,2,4-trichlorobenzene	344.8
4-methylpyridine	777.34
dibutyl ether	146.17
2,6-dimethyl-4-heptanol	93.94
DEF	416.71
dimethyl isosorbide	377.98
tetrachloroethylene	580.1
eugenol	225.59
triacetin	225.99
span 80	255.95
1,4-butanediol	249.37
1,1-dichloroethane	744.5
2-methyl-1-pentanol	354.37
methyl formate	260.9
2-methyl-1-butanol	516.46
n-decane	18.22
butyronitrile	556.6
3,7-dimethyl-1-octanol	155.88
1-chlorooctane	80.76
1-chlorotetradecane	31.23
n-nonane	16.28
undecane	13.56
tert-butylcyclohexane	38.61
cyclooctane	21.09
cyclopentanol	493.94
tetrahydropyran	1106.96
tert-amyl methyl ether	387.03
2,5,8-trioxanonane	490.4
1-hexene	151.28
2-isopropoxyethanol	381.06
2,2,2-trifluoroethanol	214.56
methyl butyrate	259.45

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