Molecular formula
C15H20O3

SMILES
CCCCCCOC(=O)CC(=O)C1=CC=CC=C1

Fragrance
Fruity	68.51%
Sweet	55.6%
Balsamic	55.06%
Floral	54.48%
Herbal	48.12%
Green	47.43%
Winey	36.38%
Caramellic	35.84%
Waxy	31.21%
Oily	30.65%

 

Flavor
Sweet	43.75%
Fruity	43.66%
Balsam	38.11%
Waxy	37.99%
Floral	35.42%
Oily	31.76%
Woody	28.22%
Green	27.88%
Herbal	26.56%
Amber	26.35%

 

Odor impact est.
Medium

XLogP3-AA
3.8

pKa est.
7.21 (neutral)

Molecular weight
248.32 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
338°C

Flash point

• 156.1 ˚C est.

Hexyl 3-oxo-3-phenylpropanoate is primarily used as an intermediate in organic synthesis and as a specialty ester in fragrance and flavor applications. In perfumery and cosmetics, it may be employed as a fragrance ingredient or fixative to help build and stabilize aroma profiles. In flavor formulation, it can be evaluated as an aroma compound contributing specific notes. In industrial manufacturing, it may serve as a solvent or processing aid for certain formulations, and it can be used in coatings, inks, and adhesives as a compatible ester with solvent properties. Its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	985.44
methanol	1385.33
isopropanol	391.4
water	0.2
ethyl acetate	942.88
n-propanol	561.63
acetone	1986.7
n-butanol	424.51
acetonitrile	1136.22
DMF	3640.63
toluene	319.37
isobutanol	344.54
1,4-dioxane	892.55
methyl acetate	852.6
THF	1600.73
2-butanone	1023.36
n-pentanol	256.12
sec-butanol	295.47
n-hexane	9.3
ethylene glycol	179.78
NMP	2278.95
cyclohexane	22.54
DMSO	4552.69
n-butyl acetate	412.52
n-octanol	55.29
chloroform	2175.08
n-propyl acetate	401.01
acetic acid	801.82
dichloromethane	2847.36
cyclohexanone	1378.93
propylene glycol	241.51
isopropyl acetate	468.69
DMAc	2393.76
2-ethoxyethanol	557.77
isopentanol	349.01
n-heptane	3.9
ethyl formate	408.79
1,2-dichloroethane	2514.13
n-hexanol	187.24
2-methoxyethanol	1229.99
isobutyl acetate	242.58
tetrachloromethane	129.63
n-pentyl acetate	176.65
transcutol	2293.24
n-heptanol	64.22
ethylbenzene	136.99
MIBK	413.7
2-propoxyethanol	499.37
tert-butanol	466.37
MTBE	380.33
2-butoxyethanol	223.87
propionic acid	521.36
o-xylene	168.44
formic acid	293.46
diethyl ether	474.08
m-xylene	180.96
p-xylene	164.68
chlorobenzene	634.76
dimethyl carbonate	431.06
n-octane	2.14
formamide	754.03
cyclopentanone	1852.56
2-pentanone	827.58
anisole	430.28
cyclopentyl methyl ether	654.65
gamma-butyrolactone	1925.62
1-methoxy-2-propanol	780.7
pyridine	1264.87
3-pentanone	588.39
furfural	1266.93
n-dodecane	2.9
diethylene glycol	472.79
diisopropyl ether	93.59
tert-amyl alcohol	320.93
acetylacetone	1168.12
n-hexadecane	3.56
acetophenone	426.11
methyl propionate	822.38
isopentyl acetate	366.12
trichloroethylene	3541.28
n-nonanol	54.59
cyclohexanol	372.19
benzyl alcohol	349.31
2-ethylhexanol	103.52
isooctanol	58.54
dipropyl ether	130.2
1,2-dichlorobenzene	561.04
ethyl lactate	189.24
propylene carbonate	796.63
n-methylformamide	1209.05
2-pentanol	200.85
n-pentane	6.63
1-propoxy-2-propanol	304.3
1-methoxy-2-propyl acetate	474.21
2-(2-methoxypropoxy) propanol	314.01
mesitylene	95.2
ε-caprolactone	918.01
p-cymene	61.94
epichlorohydrin	2532.82
1,1,1-trichloroethane	1119.87
2-aminoethanol	374.93
morpholine-4-carbaldehyde	1378.16
sulfolane	2578.38
2,2,4-trimethylpentane	8.88
2-methyltetrahydrofuran	971.67
n-hexyl acetate	260.55
isooctane	6.98
2-(2-butoxyethoxy)ethanol	440.15
sec-butyl acetate	266.75
tert-butyl acetate	484.12
decalin	20.47
glycerin	355.07
diglyme	950.16
acrylic acid	488.36
isopropyl myristate	86.55
n-butyric acid	681.58
acetyl acetate	515.47
di(2-ethylhexyl) phthalate	111.76
ethyl propionate	379.11
nitromethane	2245.24
1,2-diethoxyethane	474.01
benzonitrile	466.51
trioctyl phosphate	66.48
1-bromopropane	721.49
gamma-valerolactone	1812.07
n-decanol	40.58
triethyl phosphate	132.54
4-methyl-2-pentanol	111.05
propionitrile	601.52
vinylene carbonate	663.21
1,1,2-trichlorotrifluoroethane	1185.61
DMS	381.35
cumene	83.51
2-octanol	38.25
2-hexanone	415.74
octyl acetate	110.26
limonene	96.16
1,2-dimethoxyethane	945.23
ethyl orthosilicate	116.27
tributyl phosphate	106.46
diacetone alcohol	562.8
N,N-dimethylaniline	254.17
acrylonitrile	893.26
aniline	511.02
1,3-propanediol	481.74
bromobenzene	669.37
dibromomethane	1600.7
1,1,2,2-tetrachloroethane	2642.74
2-methyl-cyclohexyl acetate	213.06
tetrabutyl urea	149.77
diisobutyl methanol	62.4
2-phenylethanol	257.94
styrene	225.07
dioctyl adipate	173.53
dimethyl sulfate	808.88
ethyl butyrate	264.69
methyl lactate	403.46
butyl lactate	186.51
diethyl carbonate	193.43
propanediol butyl ether	237.36
triethyl orthoformate	159.82
p-tert-butyltoluene	59.14
methyl 4-tert-butylbenzoate	251.42
morpholine	1390.32
tert-butylamine	210.92
n-dodecanol	30.65
dimethoxymethane	1247.21
ethylene carbonate	534.8
cyrene	322.36
2-ethoxyethyl acetate	364.74
2-ethylhexyl acetate	257.04
1,2,4-trichlorobenzene	710.15
4-methylpyridine	1163.69
dibutyl ether	119.95
2,6-dimethyl-4-heptanol	62.4
DEF	1071.9
dimethyl isosorbide	564.57
tetrachloroethylene	1297.85
eugenol	258.72
triacetin	340.26
span 80	219.03
1,4-butanediol	162.77
1,1-dichloroethane	1499.59
2-methyl-1-pentanol	227.62
methyl formate	722.03
2-methyl-1-butanol	328.3
n-decane	4.51
butyronitrile	527.1
3,7-dimethyl-1-octanol	86.85
1-chlorooctane	46.15
1-chlorotetradecane	17.96
n-nonane	3.76
undecane	3.47
tert-butylcyclohexane	16.35
cyclooctane	5.09
cyclopentanol	463.31
tetrahydropyran	890.45
tert-amyl methyl ether	256.01
2,5,8-trioxanonane	607.28
1-hexene	89.63
2-isopropoxyethanol	333.5
2,2,2-trifluoroethanol	254.23
methyl butyrate	539.45

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