Molecular formula
C13H18O2

SMILES
CC(C)COC(=O)C(C)C1=CC=CC=C1

Fragrance
Fruity	89.84%
Sweet	88.85%
Floral	80.34%
Honey	63.87%
Balsamic	59.76%
Rose	55.85%
Tropical	47.64%
Powdery	45.98%
Berry	41.25%
Apricot	41.09%

 

Flavor
Fruity	59.05%
Floral	57.4%
Green	54.19%
Sweet	53.37%
Tropical	45.0%
Rose	43.42%
Waxy	36.26%
Honey	32.59%
Bitter	27.61%
Musty	26.42%

 

Odor impact est.
Medium

XLogP3-AA
3.6

pKa est.
7.35 (neutral)

Molecular weight
206.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
250°C

Flash point

• 111.21 ˚C est.

• SCHEMBL2296619

2-Methylpropyl 2-phenylpropanoate is primarily used as a fragrance ingredient and odorant in perfumery and cosmetics, where it contributes subtle floral-woody notes and can function as a fixative to help extend fragrance longevity. It may also serve as a processing solvent or carrier in household products and personal care formulations, and can be encountered as an aroma-related intermediate in the synthesis of other esters and related compounds. In industrial settings, the ester may be used as a solvent or processing aid in coatings, inks, and cleaning formulations, subject to formulation limits and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1737.02
methanol	1918.54
isopropanol	1203.93
water	1.95
ethyl acetate	1297.11
n-propanol	1252.71
acetone	1639.92
n-butanol	1249.44
acetonitrile	1560.79
DMF	1837.8
toluene	549.03
isobutanol	1031.3
1,4-dioxane	1650.32
methyl acetate	1090.83
THF	1417.95
2-butanone	1268.61
n-pentanol	888.88
sec-butanol	1070.86
n-hexane	160.06
ethylene glycol	187.28
NMP	1000.1
cyclohexane	198.81
DMSO	892.13
n-butyl acetate	1378.65
n-octanol	464.5
chloroform	3584.72
n-propyl acetate	886.98
acetic acid	1157.68
dichloromethane	3044.48
cyclohexanone	1562.21
propylene glycol	272.92
isopropyl acetate	787.67
DMAc	1397.23
2-ethoxyethanol	902.16
isopentanol	1067.52
n-heptane	75.89
ethyl formate	979.43
1,2-dichloroethane	1912.52
n-hexanol	1006.88
2-methoxyethanol	1223.85
isobutyl acetate	569.08
tetrachloromethane	329.83
n-pentyl acetate	562.69
transcutol	2163.66
n-heptanol	446.53
ethylbenzene	422.16
MIBK	647.91
2-propoxyethanol	1116.01
tert-butanol	1223.16
MTBE	1154.13
2-butoxyethanol	671.82
propionic acid	753.31
o-xylene	362.42
formic acid	303.14
diethyl ether	1195.63
m-xylene	378.86
p-xylene	565.5
chlorobenzene	935.82
dimethyl carbonate	337.34
n-octane	49.92
formamide	506.63
cyclopentanone	1381.71
2-pentanone	1104.18
anisole	783.41
cyclopentyl methyl ether	680.05
gamma-butyrolactone	1326.07
1-methoxy-2-propanol	877.42
pyridine	1374.61
3-pentanone	714.17
furfural	1269.44
n-dodecane	42.67
diethylene glycol	614.7
diisopropyl ether	300.53
tert-amyl alcohol	1053.47
acetylacetone	963.63
n-hexadecane	47.88
acetophenone	691.7
methyl propionate	731.43
isopentyl acetate	1115.52
trichloroethylene	3440.92
n-nonanol	380.71
cyclohexanol	815.17
benzyl alcohol	615.96
2-ethylhexanol	558.96
isooctanol	366.4
dipropyl ether	528.56
1,2-dichlorobenzene	821.1
ethyl lactate	338.15
propylene carbonate	964.46
n-methylformamide	862.39
2-pentanol	820.88
n-pentane	107.88
1-propoxy-2-propanol	798.67
1-methoxy-2-propyl acetate	774.04
2-(2-methoxypropoxy) propanol	509.8
mesitylene	231.07
ε-caprolactone	1208.67
p-cymene	227.88
epichlorohydrin	1794.83
1,1,1-trichloroethane	1554.8
2-aminoethanol	462.24
morpholine-4-carbaldehyde	1104.54
sulfolane	1073.97
2,2,4-trimethylpentane	69.06
2-methyltetrahydrofuran	1163.22
n-hexyl acetate	801.49
isooctane	54.13
2-(2-butoxyethoxy)ethanol	715.48
sec-butyl acetate	598.8
tert-butyl acetate	691.68
decalin	113.49
glycerin	296.33
diglyme	1311.18
acrylic acid	606.79
isopropyl myristate	272.88
n-butyric acid	1353.41
acetyl acetate	675.37
di(2-ethylhexyl) phthalate	239.86
ethyl propionate	668.88
nitromethane	1546.04
1,2-diethoxyethane	927.73
benzonitrile	918.02
trioctyl phosphate	179.17
1-bromopropane	1121.6
gamma-valerolactone	1592.31
n-decanol	269.07
triethyl phosphate	263.04
4-methyl-2-pentanol	434.31
propionitrile	1122.48
vinylene carbonate	942.8
1,1,2-trichlorotrifluoroethane	1002.84
DMS	492.0
cumene	284.54
2-octanol	319.29
2-hexanone	886.47
octyl acetate	360.0
limonene	320.77
1,2-dimethoxyethane	1543.79
ethyl orthosilicate	258.64
tributyl phosphate	229.78
diacetone alcohol	654.44
N,N-dimethylaniline	471.2
acrylonitrile	1213.14
aniline	611.36
1,3-propanediol	735.48
bromobenzene	990.04
dibromomethane	1952.04
1,1,2,2-tetrachloroethane	2718.33
2-methyl-cyclohexyl acetate	468.86
tetrabutyl urea	291.63
diisobutyl methanol	285.97
2-phenylethanol	627.32
styrene	559.86
dioctyl adipate	376.84
dimethyl sulfate	386.42
ethyl butyrate	770.17
methyl lactate	320.08
butyl lactate	422.71
diethyl carbonate	507.87
propanediol butyl ether	547.7
triethyl orthoformate	420.91
p-tert-butyltoluene	217.62
methyl 4-tert-butylbenzoate	460.54
morpholine	1777.96
tert-butylamine	787.5
n-dodecanol	200.68
dimethoxymethane	899.62
ethylene carbonate	832.04
cyrene	395.68
2-ethoxyethyl acetate	674.72
2-ethylhexyl acetate	795.13
1,2,4-trichlorobenzene	844.51
4-methylpyridine	1506.54
dibutyl ether	507.43
2,6-dimethyl-4-heptanol	285.97
DEF	1113.48
dimethyl isosorbide	671.14
tetrachloroethylene	1574.43
eugenol	486.04
triacetin	497.06
span 80	438.77
1,4-butanediol	373.47
1,1-dichloroethane	2024.17
2-methyl-1-pentanol	865.27
methyl formate	688.63
2-methyl-1-butanol	1005.06
n-decane	72.67
butyronitrile	1468.78
3,7-dimethyl-1-octanol	427.86
1-chlorooctane	326.97
1-chlorotetradecane	119.87
n-nonane	71.76
undecane	53.39
tert-butylcyclohexane	113.05
cyclooctane	55.34
cyclopentanol	662.45
tetrahydropyran	1587.3
tert-amyl methyl ether	750.99
2,5,8-trioxanonane	789.98
1-hexene	635.43
2-isopropoxyethanol	675.88
2,2,2-trifluoroethanol	325.89
methyl butyrate	1070.56

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