Molecular formula
C8H14O2

SMILES
CCOC(=O)[C@@H](C)CC=C

Fragrance
Fruity	96.05%
Green	75.46%
Pineapple	64.45%
Tropical	63.26%
Sweet	52.47%
Apple	52.28%
Berry	40.58%
Banana	40.36%
Pear	38.23%
Fresh	36.51%

 

Flavor
Fruity	83.17%
Tropical	44.39%
Pineapple	40.43%
Berry	37.77%
Apple	36.26%
Sweet	35.41%
Green	32.84%
Floral	27.4%
Cheese	25.25%
Pear	24.73%

 

Odor impact est.
High

XLogP3-AA
2.1

pKa est.
7.9 (neutral)

Molecular weight
142.2 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very fast

Boiling point est.
152°C

Flash point

• 43.2 ˚C est.

• SCHEMBL18465494

Ethyl (2S)-2-methylpent-4-enoate can serve as a chiral allylic ester intermediate in organic synthesis, enabling access to enantioenriched building blocks. It is also used as a reactive monomer for radical polymerization to prepare functional polymers and copolymers, with the pendant allyl group providing a handle for post-polymerization modification, such as thiol-ene chemistry. The allyl ester can function as a crosslinkable monomer in UV-curable coatings, inks, and adhesives, contributing to network formation and enhanced performance. As an unsaturated ester, it can act as a precursor for further transformations, including derivatization to ester or lactone structures. All uses are subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1429.67
methanol	2099.93
isopropanol	1253.24
water	4.61
ethyl acetate	813.61
n-propanol	1195.45
acetone	1091.18
n-butanol	1190.82
acetonitrile	1131.85
DMF	1284.59
toluene	524.53
isobutanol	1029.47
1,4-dioxane	1460.9
methyl acetate	829.65
THF	1496.82
2-butanone	1049.45
n-pentanol	1091.55
sec-butanol	1281.94
n-hexane	369.11
ethylene glycol	246.51
NMP	1233.99
cyclohexane	382.86
DMSO	998.36
n-butyl acetate	962.39
n-octanol	616.46
chloroform	2734.06
n-propyl acetate	678.93
acetic acid	1298.27
dichloromethane	2337.7
cyclohexanone	1414.01
propylene glycol	333.55
isopropyl acetate	510.72
DMAc	1208.7
2-ethoxyethanol	996.52
isopentanol	1091.69
n-heptane	174.5
ethyl formate	688.0
1,2-dichloroethane	1283.06
n-hexanol	1124.59
2-methoxyethanol	1243.24
isobutyl acetate	447.92
tetrachloromethane	557.67
n-pentyl acetate	601.25
transcutol	1873.48
n-heptanol	503.51
ethylbenzene	458.47
MIBK	552.16
2-propoxyethanol	1162.66
tert-butanol	1477.25
MTBE	1179.18
2-butoxyethanol	639.57
propionic acid	872.86
o-xylene	423.08
formic acid	396.94
diethyl ether	1015.4
m-xylene	405.21
p-xylene	620.95
chlorobenzene	841.93
dimethyl carbonate	238.72
n-octane	91.19
formamide	411.09
cyclopentanone	1293.86
2-pentanone	836.16
anisole	677.01
cyclopentyl methyl ether	852.33
gamma-butyrolactone	1370.34
1-methoxy-2-propanol	841.94
pyridine	1198.02
3-pentanone	649.25
furfural	1219.57
n-dodecane	75.0
diethylene glycol	685.85
diisopropyl ether	338.57
tert-amyl alcohol	1458.95
acetylacetone	652.1
n-hexadecane	83.1
acetophenone	667.19
methyl propionate	580.06
isopentyl acetate	810.14
trichloroethylene	2358.56
n-nonanol	477.25
cyclohexanol	1100.45
benzyl alcohol	651.65
2-ethylhexanol	662.23
isooctanol	413.14
dipropyl ether	528.17
1,2-dichlorobenzene	769.62
ethyl lactate	300.87
propylene carbonate	805.31
n-methylformamide	734.19
2-pentanol	890.36
n-pentane	287.91
1-propoxy-2-propanol	774.82
1-methoxy-2-propyl acetate	540.89
2-(2-methoxypropoxy) propanol	574.71
mesitylene	294.09
ε-caprolactone	1203.29
p-cymene	297.01
epichlorohydrin	1407.3
1,1,1-trichloroethane	1354.4
2-aminoethanol	515.06
morpholine-4-carbaldehyde	1193.36
sulfolane	1382.65
2,2,4-trimethylpentane	171.23
2-methyltetrahydrofuran	1466.45
n-hexyl acetate	907.38
isooctane	118.26
2-(2-butoxyethoxy)ethanol	713.12
sec-butyl acetate	469.95
tert-butyl acetate	577.0
decalin	205.16
glycerin	399.82
diglyme	1196.09
acrylic acid	729.81
isopropyl myristate	313.97
n-butyric acid	1157.05
acetyl acetate	478.72
di(2-ethylhexyl) phthalate	300.86
ethyl propionate	542.38
nitromethane	1345.09
1,2-diethoxyethane	846.0
benzonitrile	940.78
trioctyl phosphate	235.34
1-bromopropane	1040.16
gamma-valerolactone	1459.39
n-decanol	332.93
triethyl phosphate	284.76
4-methyl-2-pentanol	497.42
propionitrile	1034.29
vinylene carbonate	820.18
1,1,2-trichlorotrifluoroethane	957.28
DMS	471.52
cumene	331.47
2-octanol	426.5
2-hexanone	811.84
octyl acetate	410.26
limonene	428.11
1,2-dimethoxyethane	1473.13
ethyl orthosilicate	291.45
tributyl phosphate	301.27
diacetone alcohol	589.06
N,N-dimethylaniline	513.26
acrylonitrile	1084.46
aniline	617.02
1,3-propanediol	761.93
bromobenzene	922.09
dibromomethane	1636.81
1,1,2,2-tetrachloroethane	1881.41
2-methyl-cyclohexyl acetate	502.09
tetrabutyl urea	364.91
diisobutyl methanol	334.05
2-phenylethanol	622.45
styrene	578.81
dioctyl adipate	420.52
dimethyl sulfate	372.32
ethyl butyrate	587.96
methyl lactate	302.82
butyl lactate	429.08
diethyl carbonate	421.69
propanediol butyl ether	582.31
triethyl orthoformate	386.7
p-tert-butyltoluene	274.93
methyl 4-tert-butylbenzoate	501.03
morpholine	1607.27
tert-butylamine	1084.4
n-dodecanol	252.85
dimethoxymethane	689.95
ethylene carbonate	676.65
cyrene	483.61
2-ethoxyethyl acetate	594.12
2-ethylhexyl acetate	643.6
1,2,4-trichlorobenzene	813.24
4-methylpyridine	1359.15
dibutyl ether	598.81
2,6-dimethyl-4-heptanol	334.05
DEF	1010.59
dimethyl isosorbide	771.35
tetrachloroethylene	1307.99
eugenol	516.09
triacetin	543.72
span 80	519.61
1,4-butanediol	463.71
1,1-dichloroethane	1478.89
2-methyl-1-pentanol	1081.45
methyl formate	588.59
2-methyl-1-butanol	1121.58
n-decane	126.46
butyronitrile	1211.65
3,7-dimethyl-1-octanol	533.24
1-chlorooctane	412.31
1-chlorotetradecane	161.61
n-nonane	135.39
undecane	93.13
tert-butylcyclohexane	208.84
cyclooctane	124.37
cyclopentanol	988.39
tetrahydropyran	1547.5
tert-amyl methyl ether	867.85
2,5,8-trioxanonane	793.91
1-hexene	915.88
2-isopropoxyethanol	711.03
2,2,2-trifluoroethanol	343.25
methyl butyrate	829.14

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