Molecular formula
C14H20O2

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

Fragrance
Green	80.73%
Floral	66.99%
Sweet	65.06%
Spicy	63.38%
Herbal	50.82%
Fresh	38.9%
Fruity	38.79%
Hyacinth	36.45%
Cinnamon	35.9%
Almond	34.34%

 

Flavor
Green	58.85%
Fruity	53.64%
Floral	51.61%
Earthy	30.95%
Tropical	28.08%
Rose	27.65%
Spicy	25.45%
Bitter	23.68%
Mushroom	23.6%
Leaf	22.79%

 

Odor impact est.
Medium

XLogP3-AA
3.6

pKa est.
7.5 (neutral)

Molecular weight
220.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
260°C

Flash point

• 113.7 ˚C est.

• SCHEMBL3271809

(3,3-Diethoxy-2-methylprop-1-enyl)benzene may serve as a fragrance intermediate and odorant in perfumery; in cosmetics/personal care, it may be used as a fragrance ingredient in formulations; in household products, it may function as a scent component; in polymers/plastics, it may be explored as a specialty monomer or functional additive for polymer formulations; in coatings/inks, it may be used as a fragrance additive or aroma-release component.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	776.13
methanol	675.95
isopropanol	723.12
water	1.03
ethyl acetate	2277.45
n-propanol	798.86
acetone	2631.21
n-butanol	975.54
acetonitrile	2047.78
DMF	1818.78
toluene	1416.19
isobutanol	822.83
1,4-dioxane	2494.24
methyl acetate	1678.0
THF	2420.64
2-butanone	1840.44
n-pentanol	826.93
sec-butanol	891.6
n-hexane	890.31
ethylene glycol	124.85
NMP	1827.52
cyclohexane	1364.21
DMSO	1622.96
n-butyl acetate	1770.47
n-octanol	697.75
chloroform	8207.37
n-propyl acetate	1592.31
acetic acid	1340.02
dichloromethane	8190.3
cyclohexanone	2768.2
propylene glycol	170.99
isopropyl acetate	1370.88
DMAc	1847.05
2-ethoxyethanol	936.27
isopentanol	990.16
n-heptane	508.24
ethyl formate	1096.97
1,2-dichloroethane	4745.06
n-hexanol	948.3
2-methoxyethanol	1056.41
isobutyl acetate	1002.37
tetrachloromethane	1504.16
n-pentyl acetate	1107.11
transcutol	2270.62
n-heptanol	525.99
ethylbenzene	913.92
MIBK	1034.6
2-propoxyethanol	1042.17
tert-butanol	1095.6
MTBE	1781.42
2-butoxyethanol	730.23
propionic acid	866.98
o-xylene	876.47
formic acid	215.65
diethyl ether	2633.03
m-xylene	912.26
p-xylene	1144.66
chlorobenzene	1973.52
dimethyl carbonate	801.84
n-octane	235.82
formamide	358.56
cyclopentanone	2405.01
2-pentanone	1831.18
anisole	1256.59
cyclopentyl methyl ether	1842.76
gamma-butyrolactone	2407.32
1-methoxy-2-propanol	848.09
pyridine	2202.82
3-pentanone	1702.97
furfural	1825.13
n-dodecane	141.95
diethylene glycol	534.64
diisopropyl ether	824.33
tert-amyl alcohol	1046.68
acetylacetone	1832.53
n-hexadecane	165.86
acetophenone	1173.68
methyl propionate	1470.06
isopentyl acetate	1392.56
trichloroethylene	7523.07
n-nonanol	593.11
cyclohexanol	1319.98
benzyl alcohol	788.72
2-ethylhexanol	775.75
isooctanol	490.55
dipropyl ether	1484.07
1,2-dichlorobenzene	1874.94
ethyl lactate	497.65
propylene carbonate	1647.25
n-methylformamide	707.24
2-pentanol	884.37
n-pentane	607.66
1-propoxy-2-propanol	829.21
1-methoxy-2-propyl acetate	1004.09
2-(2-methoxypropoxy) propanol	622.6
mesitylene	602.88
ε-caprolactone	2061.4
p-cymene	528.01
epichlorohydrin	3017.02
1,1,1-trichloroethane	4205.45
2-aminoethanol	263.18
morpholine-4-carbaldehyde	1654.27
sulfolane	2451.31
2,2,4-trimethylpentane	257.46
2-methyltetrahydrofuran	2294.22
n-hexyl acetate	1600.21
isooctane	179.7
2-(2-butoxyethoxy)ethanol	808.21
sec-butyl acetate	1035.74
tert-butyl acetate	1276.19
decalin	467.72
glycerin	242.56
diglyme	1779.25
acrylic acid	782.97
isopropyl myristate	592.23
n-butyric acid	1460.74
acetyl acetate	1557.09
di(2-ethylhexyl) phthalate	405.98
ethyl propionate	1373.05
nitromethane	2131.93
1,2-diethoxyethane	1618.81
benzonitrile	1372.85
trioctyl phosphate	342.89
1-bromopropane	2836.96
gamma-valerolactone	2132.12
n-decanol	422.35
triethyl phosphate	561.0
4-methyl-2-pentanol	492.73
propionitrile	1487.81
vinylene carbonate	1536.69
1,1,2-trichlorotrifluoroethane	1738.33
DMS	1009.98
cumene	593.36
2-octanol	475.43
2-hexanone	1420.63
octyl acetate	717.17
limonene	809.64
1,2-dimethoxyethane	1997.75
ethyl orthosilicate	558.57
tributyl phosphate	459.91
diacetone alcohol	838.19
N,N-dimethylaniline	878.24
acrylonitrile	1445.04
aniline	1036.66
1,3-propanediol	482.08
bromobenzene	2556.36
dibromomethane	5684.57
1,1,2,2-tetrachloroethane	5999.55
2-methyl-cyclohexyl acetate	860.43
tetrabutyl urea	567.86
diisobutyl methanol	443.56
2-phenylethanol	722.77
styrene	1179.76
dioctyl adipate	733.35
dimethyl sulfate	1011.31
ethyl butyrate	1384.69
methyl lactate	467.67
butyl lactate	626.59
diethyl carbonate	946.48
propanediol butyl ether	551.49
triethyl orthoformate	828.77
p-tert-butyltoluene	483.22
methyl 4-tert-butylbenzoate	834.53
morpholine	2186.63
tert-butylamine	908.74
n-dodecanol	328.1
dimethoxymethane	1508.57
ethylene carbonate	1424.67
cyrene	621.98
2-ethoxyethyl acetate	1084.39
2-ethylhexyl acetate	1194.91
1,2,4-trichlorobenzene	1889.62
4-methylpyridine	2253.97
dibutyl ether	1361.45
2,6-dimethyl-4-heptanol	443.56
DEF	1998.46
dimethyl isosorbide	1027.72
tetrachloroethylene	4077.7
eugenol	695.75
triacetin	1033.63
span 80	605.51
1,4-butanediol	282.59
1,1-dichloroethane	4518.06
2-methyl-1-pentanol	842.79
methyl formate	764.7
2-methyl-1-butanol	1016.2
n-decane	266.05
butyronitrile	1840.12
3,7-dimethyl-1-octanol	598.41
1-chlorooctane	867.96
1-chlorotetradecane	320.99
n-nonane	297.21
undecane	181.61
tert-butylcyclohexane	399.58
cyclooctane	458.26
cyclopentanol	984.77
tetrahydropyran	2991.68
tert-amyl methyl ether	1317.64
2,5,8-trioxanonane	1036.01
1-hexene	1545.62
2-isopropoxyethanol	801.3
2,2,2-trifluoroethanol	493.77
methyl butyrate	1774.6

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