Molecular formula
C12H16O3

SMILES
CC(C)CCOC(=O)C=CC1=CC=CO1

Fragrance
Fruity	84.09%
Sweet	62.5%
Balsamic	54.32%
Green	52.69%
Apple	49.03%
Caramellic	48.68%
Floral	47.41%
Woody	43.48%
Herbal	42.23%
Spicy	39.92%

 

Flavor
Fruity	54.04%
Berry	20.85%
Oily	20.7%
Musty	20.62%
Caramel	20.08%
Herbal	19.86%
Grape	19.69%
Ethyl benzoate	19.66%
Tropical	19.55%
Cucumber skin	18.9%

 

Odor impact est.
Medium

XLogP3-AA
3.0

pKa est.
6.42 (neutral)

Molecular weight
208.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
269°C

Flash point

• 119.21 ˚C est.

• 2-Propenoic acid, 3-(2-furanyl)-, 3-methylbutyl ester
• DTXSID401215315

2-Propenoic acid, 3-(2-furanyl)-, 3-methylbutyl ester is an acrylate ester with a bulky structure and is typically used as a reactive monomer in polymer systems and coating formulations. In industry, it is commonly evaluated for use in UV-curable coatings and inks, where it copolymerizes to impart hardness, chemical resistance and adhesion. It also serves as a component in specialty polymers and resins for adhesives and sealants, and can be used to form custom polymer networks for electronics or protective coatings. The furanyl moiety may be of interest in fragrance-related chemistries as an aroma-bearing intermediate, subject to formulation limits and regional regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	676.63
methanol	962.6
isopropanol	274.8
water	0.16
ethyl acetate	745.2
n-propanol	332.22
acetone	569.72
n-butanol	285.09
acetonitrile	552.82
DMF	547.41
toluene	237.78
isobutanol	204.61
1,4-dioxane	601.05
methyl acetate	620.3
THF	935.02
2-butanone	582.71
n-pentanol	199.71
sec-butanol	264.25
n-hexane	7.93
ethylene glycol	65.18
NMP	394.41
cyclohexane	20.21
DMSO	704.6
n-butyl acetate	307.4
n-octanol	67.71
chloroform	1291.91
n-propyl acetate	300.06
acetic acid	423.05
dichloromethane	1424.49
cyclohexanone	508.45
propylene glycol	130.53
isopropyl acetate	356.4
DMAc	812.12
2-ethoxyethanol	402.28
isopentanol	266.58
n-heptane	5.78
ethyl formate	239.68
1,2-dichloroethane	798.92
n-hexanol	172.01
2-methoxyethanol	699.84
isobutyl acetate	194.08
tetrachloromethane	63.32
n-pentyl acetate	123.78
transcutol	1443.53
n-heptanol	58.46
ethylbenzene	115.98
MIBK	249.39
2-propoxyethanol	384.44
tert-butanol	324.22
MTBE	372.83
2-butoxyethanol	159.26
propionic acid	266.42
o-xylene	121.57
formic acid	130.4
diethyl ether	411.49
m-xylene	132.8
p-xylene	148.07
chlorobenzene	303.81
dimethyl carbonate	192.34
n-octane	3.31
formamide	302.7
cyclopentanone	528.65
2-pentanone	423.08
anisole	321.78
cyclopentyl methyl ether	352.95
gamma-butyrolactone	624.18
1-methoxy-2-propanol	498.11
pyridine	704.44
3-pentanone	304.6
furfural	543.67
n-dodecane	4.84
diethylene glycol	310.45
diisopropyl ether	91.73
tert-amyl alcohol	293.86
acetylacetone	586.25
n-hexadecane	5.67
acetophenone	295.17
methyl propionate	482.91
isopentyl acetate	291.47
trichloroethylene	1541.21
n-nonanol	65.06
cyclohexanol	209.07
benzyl alcohol	242.05
2-ethylhexanol	100.32
isooctanol	54.81
dipropyl ether	104.97
1,2-dichlorobenzene	274.29
ethyl lactate	129.69
propylene carbonate	359.2
n-methylformamide	275.65
2-pentanol	176.9
n-pentane	7.58
1-propoxy-2-propanol	245.72
1-methoxy-2-propyl acetate	367.4
2-(2-methoxypropoxy) propanol	278.75
mesitylene	71.53
ε-caprolactone	452.42
p-cymene	61.13
epichlorohydrin	1033.3
1,1,1-trichloroethane	530.2
2-aminoethanol	204.81
morpholine-4-carbaldehyde	555.06
sulfolane	527.01
2,2,4-trimethylpentane	11.95
2-methyltetrahydrofuran	656.63
n-hexyl acetate	202.38
isooctane	8.4
2-(2-butoxyethoxy)ethanol	360.22
sec-butyl acetate	229.05
tert-butyl acetate	342.71
decalin	18.1
glycerin	157.08
diglyme	633.21
acrylic acid	209.84
isopropyl myristate	84.24
n-butyric acid	387.97
acetyl acetate	393.85
di(2-ethylhexyl) phthalate	98.59
ethyl propionate	267.15
nitromethane	812.06
1,2-diethoxyethane	372.24
benzonitrile	256.66
trioctyl phosphate	52.87
1-bromopropane	350.17
gamma-valerolactone	647.22
n-decanol	48.02
triethyl phosphate	103.1
4-methyl-2-pentanol	110.67
propionitrile	313.87
vinylene carbonate	324.77
1,1,2-trichlorotrifluoroethane	521.91
DMS	265.25
cumene	73.41
2-octanol	43.0
2-hexanone	262.69
octyl acetate	104.61
limonene	85.59
1,2-dimethoxyethane	617.83
ethyl orthosilicate	97.33
tributyl phosphate	81.98
diacetone alcohol	377.64
N,N-dimethylaniline	191.13
acrylonitrile	395.75
aniline	272.63
1,3-propanediol	274.17
bromobenzene	342.79
dibromomethane	775.49
1,1,2,2-tetrachloroethane	1061.18
2-methyl-cyclohexyl acetate	184.71
tetrabutyl urea	101.79
diisobutyl methanol	63.87
2-phenylethanol	210.75
styrene	160.86
dioctyl adipate	149.28
dimethyl sulfate	247.32
ethyl butyrate	207.76
methyl lactate	181.91
butyl lactate	111.79
diethyl carbonate	161.23
propanediol butyl ether	176.99
triethyl orthoformate	140.36
p-tert-butyltoluene	57.44
methyl 4-tert-butylbenzoate	195.41
morpholine	855.66
tert-butylamine	163.64
n-dodecanol	37.57
dimethoxymethane	517.52
ethylene carbonate	267.95
cyrene	222.77
2-ethoxyethyl acetate	262.52
2-ethylhexyl acetate	219.01
1,2,4-trichlorobenzene	332.89
4-methylpyridine	583.4
dibutyl ether	109.49
2,6-dimethyl-4-heptanol	63.87
DEF	451.79
dimethyl isosorbide	423.67
tetrachloroethylene	534.22
eugenol	193.96
triacetin	271.35
span 80	188.4
1,4-butanediol	98.36
1,1-dichloroethane	683.93
2-methyl-1-pentanol	205.53
methyl formate	184.49
2-methyl-1-butanol	223.69
n-decane	6.92
butyronitrile	288.34
3,7-dimethyl-1-octanol	95.95
1-chlorooctane	47.7
1-chlorotetradecane	22.17
n-nonane	5.59
undecane	5.62
tert-butylcyclohexane	17.02
cyclooctane	6.02
cyclopentanol	192.49
tetrahydropyran	538.23
tert-amyl methyl ether	267.11
2,5,8-trioxanonane	496.54
1-hexene	68.7
2-isopropoxyethanol	279.5
2,2,2-trifluoroethanol	108.66
methyl butyrate	351.71

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