Molecular formula
C14H20O2

SMILES
CCOC(=O)C(C)(C)CCC1=CC=CC=C1

Fragrance
Floral	83.4%
Fruity	66.5%
Green	56.1%
Rose	47.38%
Sweet	45.54%
Honey	38.46%
Tropical	37.46%
Spicy	36.86%
Balsamic	36.78%
Herbal	35.81%

 

Flavor
Fruity	68.44%
Green	63.07%
Floral	61.73%
Rose	55.55%
Sweet	47.33%
Bitter	40.43%
Tropical	40.32%
Waxy	33.93%
Honey	30.95%
Jasmin	29.26%

 

Odor impact est.
Medium

XLogP3-AA
3.7

pKa est.
7.46 (neutral)

Molecular weight
220.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
264°C

Flash point

• 124.67 ˚C est.

• SCHEMBL15419571

Ethyl 2,2-dimethyl-4-phenylbutanoate (CAS number: ) is used as a fragrance intermediate and aroma ingredient in perfumery; it may also serve as an intermediate in organic synthesis for industrial manufacturing and pharmaceutical R&D; it can function as a solvent or processing aid in coatings and inks; and it is considered a building block for specialty chemicals in related materials development.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1979.32
methanol	1908.87
isopropanol	1639.21
water	1.04
ethyl acetate	4479.62
n-propanol	1787.98
acetone	3633.32
n-butanol	1591.67
acetonitrile	3840.35
DMF	3206.03
toluene	1423.05
isobutanol	1458.04
1,4-dioxane	3441.34
methyl acetate	3120.3
THF	2850.92
2-butanone	3477.3
n-pentanol	1223.59
sec-butanol	1805.81
n-hexane	354.81
ethylene glycol	140.87
NMP	1509.79
cyclohexane	393.71
DMSO	1477.07
n-butyl acetate	2398.89
n-octanol	661.97
chloroform	7916.41
n-propyl acetate	2557.51
acetic acid	1415.96
dichloromethane	7591.48
cyclohexanone	3447.68
propylene glycol	284.59
isopropyl acetate	2450.22
DMAc	2516.09
2-ethoxyethanol	1710.0
isopentanol	1547.24
n-heptane	114.81
ethyl formate	1937.49
1,2-dichloroethane	4422.75
n-hexanol	1104.58
2-methoxyethanol	1882.59
isobutyl acetate	1457.03
tetrachloromethane	970.98
n-pentyl acetate	1217.38
transcutol	4658.54
n-heptanol	593.33
ethylbenzene	1002.95
MIBK	1572.52
2-propoxyethanol	1589.25
tert-butanol	2108.15
MTBE	3152.99
2-butoxyethanol	1029.33
propionic acid	1310.03
o-xylene	873.77
formic acid	354.88
diethyl ether	3769.53
m-xylene	903.0
p-xylene	1214.75
chlorobenzene	2078.22
dimethyl carbonate	952.41
n-octane	76.82
formamide	815.42
cyclopentanone	2868.28
2-pentanone	2903.66
anisole	1864.59
cyclopentyl methyl ether	1625.21
gamma-butyrolactone	2967.68
1-methoxy-2-propanol	1465.38
pyridine	2718.95
3-pentanone	2254.04
furfural	2286.8
n-dodecane	55.78
diethylene glycol	778.55
diisopropyl ether	908.78
tert-amyl alcohol	1998.29
acetylacetone	2455.59
n-hexadecane	64.96
acetophenone	1591.91
methyl propionate	2384.4
isopentyl acetate	1908.12
trichloroethylene	7813.07
n-nonanol	552.71
cyclohexanol	1277.93
benzyl alcohol	1093.75
2-ethylhexanol	736.21
isooctanol	544.2
dipropyl ether	1073.77
1,2-dichlorobenzene	1852.26
ethyl lactate	666.73
propylene carbonate	1845.06
n-methylformamide	1554.14
2-pentanol	1348.69
n-pentane	207.76
1-propoxy-2-propanol	1203.81
1-methoxy-2-propyl acetate	1524.94
2-(2-methoxypropoxy) propanol	848.16
mesitylene	562.8
ε-caprolactone	2599.36
p-cymene	403.83
epichlorohydrin	3822.35
1,1,1-trichloroethane	4224.2
2-aminoethanol	495.03
morpholine-4-carbaldehyde	2169.9
sulfolane	2094.31
2,2,4-trimethylpentane	144.67
2-methyltetrahydrofuran	2596.86
n-hexyl acetate	1714.78
isooctane	115.58
2-(2-butoxyethoxy)ethanol	1316.19
sec-butyl acetate	1733.49
tert-butyl acetate	1982.77
decalin	222.34
glycerin	326.77
diglyme	2456.39
acrylic acid	957.64
isopropyl myristate	528.74
n-butyric acid	2252.25
acetyl acetate	1983.05
di(2-ethylhexyl) phthalate	381.69
ethyl propionate	1994.15
nitromethane	3382.86
1,2-diethoxyethane	2149.05
benzonitrile	1614.19
trioctyl phosphate	284.27
1-bromopropane	2526.88
gamma-valerolactone	3165.97
n-decanol	377.3
triethyl phosphate	502.35
4-methyl-2-pentanol	767.01
propionitrile	2725.41
vinylene carbonate	1870.14
1,1,2-trichlorotrifluoroethane	1696.0
DMS	1205.75
cumene	615.81
2-octanol	473.17
2-hexanone	2017.57
octyl acetate	669.41
limonene	546.72
1,2-dimethoxyethane	3002.53
ethyl orthosilicate	491.72
tributyl phosphate	414.56
diacetone alcohol	1412.46
N,N-dimethylaniline	1055.94
acrylonitrile	2666.74
aniline	1270.76
1,3-propanediol	854.98
bromobenzene	2437.29
dibromomethane	4737.76
1,1,2,2-tetrachloroethane	5760.46
2-methyl-cyclohexyl acetate	893.46
tetrabutyl urea	472.72
diisobutyl methanol	408.13
2-phenylethanol	930.11
styrene	1292.42
dioctyl adipate	656.7
dimethyl sulfate	1018.75
ethyl butyrate	1590.04
methyl lactate	594.41
butyl lactate	750.49
diethyl carbonate	996.17
propanediol butyl ether	819.17
triethyl orthoformate	828.07
p-tert-butyltoluene	379.64
methyl 4-tert-butylbenzoate	920.39
morpholine	3357.25
tert-butylamine	1400.66
n-dodecanol	270.15
dimethoxymethane	2104.47
ethylene carbonate	1681.81
cyrene	721.04
2-ethoxyethyl acetate	1471.07
2-ethylhexyl acetate	1421.71
1,2,4-trichlorobenzene	1857.02
4-methylpyridine	2959.9
dibutyl ether	1107.43
2,6-dimethyl-4-heptanol	408.13
DEF	2717.07
dimethyl isosorbide	1320.53
tetrachloroethylene	3558.84
eugenol	844.37
triacetin	1166.24
span 80	695.49
1,4-butanediol	436.95
1,1-dichloroethane	5133.0
2-methyl-1-pentanol	1280.02
methyl formate	1340.87
2-methyl-1-butanol	1517.71
n-decane	105.47
butyronitrile	2748.25
3,7-dimethyl-1-octanol	613.76
1-chlorooctane	565.08
1-chlorotetradecane	178.33
n-nonane	110.4
undecane	72.55
tert-butylcyclohexane	219.98
cyclooctane	122.24
cyclopentanol	1031.73
tetrahydropyran	3132.8
tert-amyl methyl ether	2043.89
2,5,8-trioxanonane	1393.11
1-hexene	1287.36
2-isopropoxyethanol	1352.92
2,2,2-trifluoroethanol	514.8
methyl butyrate	2769.07

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