Molecular formula
C14H18O2

SMILES
CC(C)CCOC(=O)C=CC1=CC=CC=C1

Fragrance
Balsamic	84.65%
Sweet	83.45%
Fruity	82.63%
Floral	58.17%
Spicy	47.64%
Cocoa	46.95%
Honey	45.85%
Rose	42.5%
Cinnamon	42.02%
Herbal	39.54%

 

Flavor
Floral	53.87%
Balsam	41.81%
Sweet	38.16%
Green	32.43%
Honey	32.36%
Fruity	31.94%
Cocoa	31.03%
Chocolate	30.71%
Rose	29.06%
Amber	27.91%

 

Odor impact est.
Medium

XLogP3-AA
4.3

pKa est.
6.89 (neutral)

Molecular weight
218.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
293°C

Flash point

• 137.33 ˚C est.

• CHEMBL3183801
• 3-methylbut-1-yl 3-phenylacrylate

3-Methylbut-1-yl 3-phenylacrylate is primarily used as a reactive acrylate monomer for radical polymerization to form specialty acrylic polymers and copolymers for coatings, inks, and adhesives; the bulky isopentyl ester and the phenyl-substituted acrylate moiety enable tuning of rigidity, glass transition temperature (Tg), and refractive index in UV-curable formulations, and it can act as a reactive diluent to reduce viscosity while becoming covalently incorporated into the final polymer; it may serve as an intermediate in fragrance chemistry or as a fragrance ingredient due to its aromatic character; it can also be encountered in cosmetics or household products as a specialty ester used in fragrance delivery systems; and it is commonly evaluated for use in niche applications within polymers and coatings, subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1267.39
methanol	1064.17
isopropanol	608.03
water	0.13
ethyl acetate	1580.91
n-propanol	786.55
acetone	1668.82
n-butanol	655.75
acetonitrile	1210.07
DMF	1730.17
toluene	515.07
isobutanol	495.56
1,4-dioxane	1178.44
methyl acetate	1064.39
THF	1662.86
2-butanone	1443.07
n-pentanol	394.17
sec-butanol	558.44
n-hexane	43.82
ethylene glycol	79.06
NMP	1087.16
cyclohexane	75.86
DMSO	1462.69
n-butyl acetate	727.65
n-octanol	110.31
chloroform	2973.39
n-propyl acetate	637.91
acetic acid	666.88
dichloromethane	3229.97
cyclohexanone	1365.36
propylene glycol	200.42
isopropyl acetate	726.23
DMAc	1419.46
2-ethoxyethanol	563.08
isopentanol	501.74
n-heptane	19.78
ethyl formate	536.51
1,2-dichloroethane	2359.67
n-hexanol	387.12
2-methoxyethanol	1050.14
isobutyl acetate	350.09
tetrachloromethane	141.47
n-pentyl acetate	262.67
transcutol	2502.87
n-heptanol	116.98
ethylbenzene	228.02
MIBK	520.08
2-propoxyethanol	707.61
tert-butanol	527.13
MTBE	683.28
2-butoxyethanol	290.88
propionic acid	513.48
o-xylene	218.03
formic acid	156.35
diethyl ether	1098.65
m-xylene	269.4
p-xylene	273.17
chlorobenzene	772.35
dimethyl carbonate	351.88
n-octane	8.06
formamide	433.07
cyclopentanone	1588.38
2-pentanone	1161.37
anisole	559.6
cyclopentyl methyl ether	747.84
gamma-butyrolactone	1512.81
1-methoxy-2-propanol	804.82
pyridine	1461.33
3-pentanone	822.32
furfural	1092.59
n-dodecane	7.9
diethylene glycol	428.43
diisopropyl ether	208.12
tert-amyl alcohol	458.63
acetylacetone	1137.42
n-hexadecane	9.41
acetophenone	503.67
methyl propionate	1051.27
isopentyl acetate	585.48
trichloroethylene	4015.73
n-nonanol	101.96
cyclohexanol	448.22
benzyl alcohol	378.6
2-ethylhexanol	215.16
isooctanol	106.77
dipropyl ether	300.51
1,2-dichlorobenzene	625.15
ethyl lactate	230.79
propylene carbonate	780.16
n-methylformamide	714.26
2-pentanol	400.28
n-pentane	34.03
1-propoxy-2-propanol	497.72
1-methoxy-2-propyl acetate	662.55
2-(2-methoxypropoxy) propanol	381.22
mesitylene	138.16
ε-caprolactone	1020.67
p-cymene	104.48
epichlorohydrin	2420.62
1,1,1-trichloroethane	1290.24
2-aminoethanol	285.74
morpholine-4-carbaldehyde	952.55
sulfolane	1454.36
2,2,4-trimethylpentane	24.23
2-methyltetrahydrofuran	1290.72
n-hexyl acetate	376.46
isooctane	19.33
2-(2-butoxyethoxy)ethanol	547.84
sec-butyl acetate	431.61
tert-butyl acetate	636.09
decalin	43.42
glycerin	210.41
diglyme	1058.03
acrylic acid	404.58
isopropyl myristate	139.17
n-butyric acid	867.99
acetyl acetate	672.05
di(2-ethylhexyl) phthalate	138.27
ethyl propionate	585.95
nitromethane	1472.31
1,2-diethoxyethane	735.59
benzonitrile	545.94
trioctyl phosphate	87.58
1-bromopropane	1060.29
gamma-valerolactone	1485.73
n-decanol	75.91
triethyl phosphate	175.47
4-methyl-2-pentanol	200.4
propionitrile	755.11
vinylene carbonate	666.72
1,1,2-trichlorotrifluoroethane	943.93
DMS	441.3
cumene	132.24
2-octanol	77.54
2-hexanone	619.5
octyl acetate	172.71
limonene	164.01
1,2-dimethoxyethane	977.64
ethyl orthosilicate	161.28
tributyl phosphate	134.33
diacetone alcohol	623.45
N,N-dimethylaniline	303.94
acrylonitrile	902.37
aniline	536.78
1,3-propanediol	433.13
bromobenzene	880.11
dibromomethane	1946.99
1,1,2,2-tetrachloroethane	2988.64
2-methyl-cyclohexyl acetate	305.21
tetrabutyl urea	161.51
diisobutyl methanol	118.91
2-phenylethanol	347.6
styrene	333.03
dioctyl adipate	237.42
dimethyl sulfate	484.96
ethyl butyrate	467.22
methyl lactate	336.19
butyl lactate	219.95
diethyl carbonate	310.48
propanediol butyl ether	269.83
triethyl orthoformate	263.74
p-tert-butyltoluene	99.57
methyl 4-tert-butylbenzoate	294.58
morpholine	1722.91
tert-butylamine	315.89
n-dodecanol	58.13
dimethoxymethane	1020.71
ethylene carbonate	576.21
cyrene	295.0
2-ethoxyethyl acetate	488.84
2-ethylhexyl acetate	428.37
1,2,4-trichlorobenzene	736.11
4-methylpyridine	1333.59
dibutyl ether	229.13
2,6-dimethyl-4-heptanol	118.91
DEF	1138.62
dimethyl isosorbide	622.64
tetrachloroethylene	1400.03
eugenol	297.33
triacetin	397.17
span 80	280.25
1,4-butanediol	138.84
1,1-dichloroethane	1890.01
2-methyl-1-pentanol	357.01
methyl formate	437.11
2-methyl-1-butanol	479.6
n-decane	12.42
butyronitrile	773.28
3,7-dimethyl-1-octanol	155.43
1-chlorooctane	98.72
1-chlorotetradecane	37.95
n-nonane	11.11
undecane	9.62
tert-butylcyclohexane	36.25
cyclooctane	19.53
cyclopentanol	434.0
tetrahydropyran	1419.52
tert-amyl methyl ether	465.67
2,5,8-trioxanonane	691.08
1-hexene	289.17
2-isopropoxyethanol	392.29
2,2,2-trifluoroethanol	162.54
methyl butyrate	780.47

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