Molecular formula
C15H22O2

SMILES
CCC(=O)OC(C)(CC)CCC1=CC=CC=C1

Fragrance
Floral	85.91%
Fruity	82.8%
Sweet	66.69%
Green	54.17%
Rose	52.34%
Honey	42.52%
Fresh	41.34%
Balsamic	39.68%
Jasmin	35.3%
Powdery	33.84%

 

Flavor
Green	73.46%
Floral	64.42%
Rose	54.26%
Fruity	53.62%
Sweet	48.68%
Bitter	46.15%
Waxy	39.28%
Tropical	36.04%
Honey	32.69%
Herbal	31.04%

 

Odor impact est.
Medium

XLogP3-AA
4.0

pKa est.
8.67 (weak base)

Molecular weight
234.33 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
284°C

Flash point

• 131.68 ˚C est.

(3-Methyl-1-phenylpentan-3-yl) propanoate is primarily regarded as a fragrance ingredient, serving as an odorant in perfumery and scented products; it is also used as an aroma component in cosmetics and personal care, contributing to the scent profile of formulations. In household formulations, the compound may act as a fragrance additive for cleaning products and other household goods. It can be used as an aroma compound in flavor formulations or as a precursor for the synthesis of more complex compounds used in the pharmaceutical and agrochemical industries.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1639.84
methanol	1772.86
isopropanol	1178.71
water	0.46
ethyl acetate	1724.98
n-propanol	1343.68
acetone	1550.35
n-butanol	1130.16
acetonitrile	1352.87
DMF	1487.79
toluene	743.18
isobutanol	957.69
1,4-dioxane	2458.67
methyl acetate	1424.1
THF	1917.05
2-butanone	1488.07
n-pentanol	964.93
sec-butanol	1148.25
n-hexane	216.57
ethylene glycol	120.04
NMP	893.27
cyclohexane	252.6
DMSO	1246.66
n-butyl acetate	1331.14
n-octanol	443.38
chloroform	4430.49
n-propyl acetate	1052.16
acetic acid	656.75
dichloromethane	3886.25
cyclohexanone	1810.3
propylene glycol	249.25
isopropyl acetate	1038.33
DMAc	1572.3
2-ethoxyethanol	1036.39
isopentanol	995.62
n-heptane	78.38
ethyl formate	801.57
1,2-dichloroethane	2244.93
n-hexanol	949.47
2-methoxyethanol	1122.64
isobutyl acetate	781.55
tetrachloromethane	434.05
n-pentyl acetate	661.37
transcutol	2690.67
n-heptanol	348.98
ethylbenzene	558.4
MIBK	739.15
2-propoxyethanol	1168.63
tert-butanol	1187.11
MTBE	1614.12
2-butoxyethanol	597.24
propionic acid	702.38
o-xylene	462.01
formic acid	158.14
diethyl ether	1863.44
m-xylene	469.06
p-xylene	684.99
chlorobenzene	1076.67
dimethyl carbonate	380.75
n-octane	50.18
formamide	296.26
cyclopentanone	1349.12
2-pentanone	1190.59
anisole	1008.77
cyclopentyl methyl ether	983.64
gamma-butyrolactone	1381.04
1-methoxy-2-propanol	846.89
pyridine	1517.37
3-pentanone	941.71
furfural	1140.2
n-dodecane	46.61
diethylene glycol	608.46
diisopropyl ether	435.94
tert-amyl alcohol	1097.58
acetylacetone	1093.27
n-hexadecane	53.94
acetophenone	791.48
methyl propionate	963.08
isopentyl acetate	1135.19
trichloroethylene	3313.76
n-nonanol	378.6
cyclohexanol	871.0
benzyl alcohol	687.87
2-ethylhexanol	546.44
isooctanol	309.8
dipropyl ether	668.99
1,2-dichlorobenzene	986.89
ethyl lactate	342.7
propylene carbonate	889.17
n-methylformamide	576.79
2-pentanol	739.35
n-pentane	111.85
1-propoxy-2-propanol	785.1
1-methoxy-2-propyl acetate	898.58
2-(2-methoxypropoxy) propanol	603.36
mesitylene	291.03
ε-caprolactone	1449.63
p-cymene	236.1
epichlorohydrin	1950.87
1,1,1-trichloroethane	1787.34
2-aminoethanol	377.4
morpholine-4-carbaldehyde	1267.44
sulfolane	1199.5
2,2,4-trimethylpentane	79.34
2-methyltetrahydrofuran	1618.52
n-hexyl acetate	965.35
isooctane	57.86
2-(2-butoxyethoxy)ethanol	854.21
sec-butyl acetate	774.48
tert-butyl acetate	903.77
decalin	152.33
glycerin	254.74
diglyme	1519.78
acrylic acid	424.96
isopropyl myristate	357.53
n-butyric acid	1086.82
acetyl acetate	860.82
di(2-ethylhexyl) phthalate	294.31
ethyl propionate	893.75
nitromethane	1123.21
1,2-diethoxyethane	1350.73
benzonitrile	873.05
trioctyl phosphate	208.06
1-bromopropane	1573.49
gamma-valerolactone	1698.44
n-decanol	272.77
triethyl phosphate	300.26
4-methyl-2-pentanol	419.33
propionitrile	1190.07
vinylene carbonate	913.29
1,1,2-trichlorotrifluoroethane	908.29
DMS	683.45
cumene	343.71
2-octanol	283.78
2-hexanone	1050.92
octyl acetate	440.92
limonene	358.13
1,2-dimethoxyethane	1893.49
ethyl orthosilicate	302.63
tributyl phosphate	296.93
diacetone alcohol	685.4
N,N-dimethylaniline	586.98
acrylonitrile	1036.28
aniline	718.18
1,3-propanediol	580.66
bromobenzene	1263.95
dibromomethane	2656.79
1,1,2,2-tetrachloroethane	2937.52
2-methyl-cyclohexyl acetate	581.48
tetrabutyl urea	349.27
diisobutyl methanol	261.11
2-phenylethanol	639.9
styrene	723.84
dioctyl adipate	463.76
dimethyl sulfate	455.04
ethyl butyrate	802.38
methyl lactate	306.54
butyl lactate	426.5
diethyl carbonate	539.91
propanediol butyl ether	527.17
triethyl orthoformate	488.03
p-tert-butyltoluene	225.98
methyl 4-tert-butylbenzoate	545.43
morpholine	2406.04
tert-butylamine	831.02
n-dodecanol	206.58
dimethoxymethane	1071.96
ethylene carbonate	869.32
cyrene	453.4
2-ethoxyethyl acetate	800.23
2-ethylhexyl acetate	850.25
1,2,4-trichlorobenzene	1006.32
4-methylpyridine	1622.74
dibutyl ether	719.36
2,6-dimethyl-4-heptanol	261.11
DEF	1188.59
dimethyl isosorbide	863.6
tetrachloroethylene	1718.52
eugenol	535.64
triacetin	732.21
span 80	523.03
1,4-butanediol	331.87
1,1-dichloroethane	2363.13
2-methyl-1-pentanol	876.66
methyl formate	460.71
2-methyl-1-butanol	959.49
n-decane	79.67
butyronitrile	1355.2
3,7-dimethyl-1-octanol	437.42
1-chlorooctane	376.4
1-chlorotetradecane	139.75
n-nonane	79.39
undecane	59.09
tert-butylcyclohexane	140.97
cyclooctane	71.29
cyclopentanol	705.66
tetrahydropyran	2276.48
tert-amyl methyl ether	1004.8
2,5,8-trioxanonane	977.4
1-hexene	954.95
2-isopropoxyethanol	800.15
2,2,2-trifluoroethanol	191.8
methyl butyrate	1191.18

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