Molecular formula
C13H18O2

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

Fragrance
Floral	77.42%
Fruity	67.88%
Green	47.76%
Herbal	46.11%
Rose	37.92%
Sweet	36.99%
Honey	35.36%
Tropical	33.86%
Woody	30.44%
Fresh	30.44%

 

Flavor
Fruity	70.7%
Green	61.02%
Sweet	50.89%
Floral	49.62%
Tropical	46.42%
Bitter	39.46%
Herbal	36.81%
Rose	35.37%
Citrus	35.29%
Bergamot	27.98%

 

Odor impact est.
High

XLogP3-AA
3.4

pKa est.
7.47 (neutral)

Molecular weight
206.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately slow

Boiling point est.
236°C

Flash point

• 106.87 ˚C est.

• SCHEMBL6898376
• AKOS009098947

Propan-2-yl 2-methyl-2-phenylpropanoate (CAS number: ) is an ester commonly evaluated as a fragrance ingredient and fixative in perfumery, contributing a lasting aroma; in cosmetics and personal care formulations it can function as a fragrance component; in household products such as cleaners and air fresheners it is used to impart and stabilize scents; in coatings and inks it can serve as a solvent or carrier for aroma compounds and additives; in polymers and plastics it may function as a plasticizer or processing aid for specialty polymers; and in industrial manufacturing it can be used as a solvent or intermediate for organic syntheses and formulation work. It should be noted that compatibility with local regulations and formulation limits must be verified.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1524.16
methanol	1440.01
isopropanol	1842.51
water	4.39
ethyl acetate	2213.71
n-propanol	1717.28
acetone	2866.53
n-butanol	1792.4
acetonitrile	2403.71
DMF	4116.66
toluene	1473.76
isobutanol	1679.84
1,4-dioxane	3119.75
methyl acetate	2100.19
THF	3262.21
2-butanone	2483.4
n-pentanol	1126.04
sec-butanol	1823.49
n-hexane	643.51
ethylene glycol	226.84
NMP	2601.98
cyclohexane	869.04
DMSO	1365.48
n-butyl acetate	1621.39
n-octanol	919.83
chloroform	6914.5
n-propyl acetate	1359.79
acetic acid	1142.63
dichloromethane	5618.55
cyclohexanone	3693.38
propylene glycol	364.45
isopropyl acetate	1397.18
DMAc	2879.61
2-ethoxyethanol	1088.26
isopentanol	1439.41
n-heptane	234.05
ethyl formate	1487.47
1,2-dichloroethane	3593.26
n-hexanol	1340.92
2-methoxyethanol	1654.51
isobutyl acetate	873.39
tetrachloromethane	1112.3
n-pentyl acetate	1010.72
transcutol	1663.25
n-heptanol	734.07
ethylbenzene	1077.39
MIBK	1253.09
2-propoxyethanol	1406.24
tert-butanol	2111.96
MTBE	2316.57
2-butoxyethanol	854.03
propionic acid	1195.95
o-xylene	965.65
formic acid	317.65
diethyl ether	2442.02
m-xylene	1004.86
p-xylene	1342.55
chlorobenzene	1883.22
dimethyl carbonate	895.75
n-octane	165.9
formamide	553.24
cyclopentanone	3206.7
2-pentanone	2164.99
anisole	1495.24
cyclopentyl methyl ether	1897.62
gamma-butyrolactone	3309.09
1-methoxy-2-propanol	1339.32
pyridine	2324.81
3-pentanone	1815.31
furfural	2216.36
n-dodecane	123.04
diethylene glycol	797.69
diisopropyl ether	779.71
tert-amyl alcohol	1804.25
acetylacetone	1856.99
n-hexadecane	143.96
acetophenone	1271.14
methyl propionate	1731.26
isopentyl acetate	1369.27
trichloroethylene	6087.43
n-nonanol	718.82
cyclohexanol	1901.14
benzyl alcohol	953.41
2-ethylhexanol	807.31
isooctanol	591.45
dipropyl ether	980.72
1,2-dichlorobenzene	1667.05
ethyl lactate	537.47
propylene carbonate	1999.58
n-methylformamide	1523.51
2-pentanol	1403.96
n-pentane	452.17
1-propoxy-2-propanol	1007.42
1-methoxy-2-propyl acetate	1109.34
2-(2-methoxypropoxy) propanol	634.13
mesitylene	658.02
ε-caprolactone	2577.83
p-cymene	446.79
epichlorohydrin	3300.59
1,1,1-trichloroethane	3718.8
2-aminoethanol	552.81
morpholine-4-carbaldehyde	2381.25
sulfolane	2541.4
2,2,4-trimethylpentane	207.21
2-methyltetrahydrofuran	2743.55
n-hexyl acetate	1545.86
isooctane	153.51
2-(2-butoxyethoxy)ethanol	848.6
sec-butyl acetate	957.01
tert-butyl acetate	1311.87
decalin	358.25
glycerin	427.79
diglyme	1579.26
acrylic acid	982.02
isopropyl myristate	541.62
n-butyric acid	1798.16
acetyl acetate	1310.1
di(2-ethylhexyl) phthalate	395.43
ethyl propionate	1284.96
nitromethane	2183.17
1,2-diethoxyethane	1160.84
benzonitrile	1412.17
trioctyl phosphate	332.61
1-bromopropane	2343.63
gamma-valerolactone	3267.51
n-decanol	513.27
triethyl phosphate	449.9
4-methyl-2-pentanol	703.56
propionitrile	2126.99
vinylene carbonate	1924.7
1,1,2-trichlorotrifluoroethane	1654.92
DMS	1069.37
cumene	639.38
2-octanol	664.78
2-hexanone	1427.59
octyl acetate	714.64
limonene	644.87
1,2-dimethoxyethane	2232.07
ethyl orthosilicate	426.03
tributyl phosphate	405.7
diacetone alcohol	1073.65
N,N-dimethylaniline	982.03
acrylonitrile	2028.88
aniline	1254.9
1,3-propanediol	924.96
bromobenzene	2144.15
dibromomethane	3791.16
1,1,2,2-tetrachloroethane	5121.03
2-methyl-cyclohexyl acetate	753.91
tetrabutyl urea	503.24
diisobutyl methanol	416.9
2-phenylethanol	924.77
styrene	1235.5
dioctyl adipate	620.61
dimethyl sulfate	1156.27
ethyl butyrate	1054.02
methyl lactate	654.27
butyl lactate	613.37
diethyl carbonate	746.75
propanediol butyl ether	713.83
triethyl orthoformate	648.58
p-tert-butyltoluene	451.04
methyl 4-tert-butylbenzoate	879.53
morpholine	2993.84
tert-butylamine	1513.62
n-dodecanol	375.47
dimethoxymethane	2028.59
ethylene carbonate	1776.77
cyrene	691.97
2-ethoxyethyl acetate	946.71
2-ethylhexyl acetate	1086.08
1,2,4-trichlorobenzene	1739.09
4-methylpyridine	2788.35
dibutyl ether	997.82
2,6-dimethyl-4-heptanol	416.9
DEF	2445.76
dimethyl isosorbide	1109.06
tetrachloroethylene	3263.41
eugenol	749.38
triacetin	906.12
span 80	634.52
1,4-butanediol	453.07
1,1-dichloroethane	4198.58
2-methyl-1-pentanol	1092.97
methyl formate	1376.27
2-methyl-1-butanol	1580.97
n-decane	218.81
butyronitrile	2270.33
3,7-dimethyl-1-octanol	654.96
1-chlorooctane	799.71
1-chlorotetradecane	290.96
n-nonane	237.5
undecane	159.06
tert-butylcyclohexane	304.24
cyclooctane	273.11
cyclopentanol	1684.51
tetrahydropyran	3388.35
tert-amyl methyl ether	1591.28
2,5,8-trioxanonane	978.05
1-hexene	1510.7
2-isopropoxyethanol	822.18
2,2,2-trifluoroethanol	513.35
methyl butyrate	1746.82

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