Molecular formula
C14H20O2

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

Fragrance
Floral	79.26%
Fruity	60.43%
Green	46.24%
Herbal	45.82%
Rose	37.66%
Woody	35.0%
Spicy	34.6%
Tropical	32.79%
Fresh	31.09%
Honey	30.65%

 

Flavor
Fruity	66.02%
Green	63.16%
Floral	54.0%
Sweet	53.14%
Bitter	42.61%
Herbal	41.38%
Tropical	41.36%
Rose	40.0%
Citrus	32.87%
Bergamot	27.14%

 

Odor impact est.
Medium

XLogP3-AA
3.7

pKa est.
7.45 (neutral)

Molecular weight
220.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
251°C

Flash point

• 115.21 ˚C est.

• SCHEMBL19024904

Propan-2-yl 2,2-dimethyl-3-phenylpropanoate is an aromatic ester commonly used as a fragrance ingredient and solvent in perfumery and cosmetics, and may function as a fixative to help retain fragrance in formulations. It is also used as a processing aid and as an intermediate in industrial manufacturing, enabling the synthesis of more complex aroma compounds. In household products such as air fresheners, cleaners, and laundry formulations, it may appear as a fragrance additive. In coatings and inks, it can serve as a solvent carrier for fragrances and other additives. In adhesives, it may act as a minor solvent component or processing aid. Additionally, as an organic synthesis intermediate, it can participate in reactions to prepare related aroma chemicals or polymer additives.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1522.11
methanol	1564.91
isopropanol	1687.04
water	2.8
ethyl acetate	2621.42
n-propanol	1571.06
acetone	3894.62
n-butanol	1681.21
acetonitrile	2482.0
DMF	4410.24
toluene	1477.86
isobutanol	1641.61
1,4-dioxane	2736.21
methyl acetate	2446.93
THF	3313.98
2-butanone	3006.23
n-pentanol	1221.66
sec-butanol	1668.91
n-hexane	688.72
ethylene glycol	274.99
NMP	2665.63
cyclohexane	643.16
DMSO	1783.54
n-butyl acetate	2132.92
n-octanol	982.87
chloroform	6770.95
n-propyl acetate	1705.1
acetic acid	1399.09
dichloromethane	5327.56
cyclohexanone	3691.78
propylene glycol	452.16
isopropyl acetate	1924.99
DMAc	3386.09
2-ethoxyethanol	1294.05
isopentanol	1695.66
n-heptane	238.07
ethyl formate	1608.15
1,2-dichloroethane	3658.43
n-hexanol	1543.5
2-methoxyethanol	1875.29
isobutyl acetate	1214.67
tetrachloromethane	991.8
n-pentyl acetate	1253.41
transcutol	2738.75
n-heptanol	773.98
ethylbenzene	1102.71
MIBK	1794.33
2-propoxyethanol	1812.88
tert-butanol	2117.62
MTBE	2749.5
2-butoxyethanol	1109.77
propionic acid	1339.33
o-xylene	1010.14
formic acid	411.76
diethyl ether	2546.19
m-xylene	1130.03
p-xylene	1387.22
chlorobenzene	1856.79
dimethyl carbonate	1090.75
n-octane	163.03
formamide	595.28
cyclopentanone	3391.38
2-pentanone	2834.59
anisole	1728.53
cyclopentyl methyl ether	2149.95
gamma-butyrolactone	3305.1
1-methoxy-2-propanol	1680.17
pyridine	2137.86
3-pentanone	2128.06
furfural	2443.7
n-dodecane	118.37
diethylene glycol	1047.59
diisopropyl ether	958.84
tert-amyl alcohol	1910.69
acetylacetone	2583.75
n-hexadecane	136.47
acetophenone	1536.51
methyl propionate	1923.22
isopentyl acetate	1915.82
trichloroethylene	6207.33
n-nonanol	771.19
cyclohexanol	1796.47
benzyl alcohol	1099.46
2-ethylhexanol	942.31
isooctanol	677.14
dipropyl ether	1153.17
1,2-dichlorobenzene	1793.01
ethyl lactate	703.25
propylene carbonate	2217.56
n-methylformamide	1588.29
2-pentanol	1457.24
n-pentane	424.41
1-propoxy-2-propanol	1331.4
1-methoxy-2-propyl acetate	1597.15
2-(2-methoxypropoxy) propanol	859.76
mesitylene	729.62
ε-caprolactone	2773.17
p-cymene	516.64
epichlorohydrin	3623.53
1,1,1-trichloroethane	4044.51
2-aminoethanol	613.39
morpholine-4-carbaldehyde	2597.45
sulfolane	2934.06
2,2,4-trimethylpentane	225.75
2-methyltetrahydrofuran	2799.61
n-hexyl acetate	1920.21
isooctane	182.34
2-(2-butoxyethoxy)ethanol	1200.19
sec-butyl acetate	1323.85
tert-butyl acetate	1914.23
decalin	367.68
glycerin	544.48
diglyme	2243.49
acrylic acid	1105.75
isopropyl myristate	660.63
n-butyric acid	2124.84
acetyl acetate	1700.64
di(2-ethylhexyl) phthalate	496.56
ethyl propionate	1575.58
nitromethane	2825.73
1,2-diethoxyethane	1578.53
benzonitrile	1633.62
trioctyl phosphate	418.49
1-bromopropane	2303.79
gamma-valerolactone	3553.51
n-decanol	548.82
triethyl phosphate	533.34
4-methyl-2-pentanol	903.64
propionitrile	1974.5
vinylene carbonate	2016.63
1,1,2-trichlorotrifluoroethane	2040.46
DMS	1416.78
cumene	723.6
2-octanol	682.95
2-hexanone	1868.65
octyl acetate	845.2
limonene	754.34
1,2-dimethoxyethane	2685.0
ethyl orthosilicate	517.59
tributyl phosphate	548.93
diacetone alcohol	1536.36
N,N-dimethylaniline	1157.55
acrylonitrile	2069.36
aniline	1253.3
1,3-propanediol	983.38
bromobenzene	2120.29
dibromomethane	3679.08
1,1,2,2-tetrachloroethane	5568.05
2-methyl-cyclohexyl acetate	932.67
tetrabutyl urea	648.57
diisobutyl methanol	520.28
2-phenylethanol	1104.49
styrene	1251.97
dioctyl adipate	773.93
dimethyl sulfate	1456.47
ethyl butyrate	1336.14
methyl lactate	830.08
butyl lactate	861.92
diethyl carbonate	898.23
propanediol butyl ether	1031.16
triethyl orthoformate	795.24
p-tert-butyltoluene	516.08
methyl 4-tert-butylbenzoate	1066.93
morpholine	2716.29
tert-butylamine	1483.64
n-dodecanol	407.39
dimethoxymethane	2361.84
ethylene carbonate	1843.64
cyrene	807.09
2-ethoxyethyl acetate	1261.42
2-ethylhexyl acetate	1436.39
1,2,4-trichlorobenzene	1867.06
4-methylpyridine	2845.18
dibutyl ether	1241.15
2,6-dimethyl-4-heptanol	520.28
DEF	2855.22
dimethyl isosorbide	1364.91
tetrachloroethylene	3418.12
eugenol	895.52
triacetin	1251.78
span 80	817.62
1,4-butanediol	553.89
1,1-dichloroethane	4322.82
2-methyl-1-pentanol	1254.76
methyl formate	1511.84
2-methyl-1-butanol	1659.12
n-decane	211.21
butyronitrile	2291.06
3,7-dimethyl-1-octanol	825.0
1-chlorooctane	847.29
1-chlorotetradecane	304.27
n-nonane	232.93
undecane	149.76
tert-butylcyclohexane	350.56
cyclooctane	239.78
cyclopentanol	1431.65
tetrahydropyran	2958.43
tert-amyl methyl ether	1949.3
2,5,8-trioxanonane	1321.59
1-hexene	1605.23
2-isopropoxyethanol	1103.03
2,2,2-trifluoroethanol	589.89
methyl butyrate	2164.08

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