Molecular formula
C12H16O2

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

Fragrance
Fruity	86.84%
Sweet	76.16%
Floral	71.52%
Honey	53.09%
Balsamic	50.37%
Green	47.46%
Rose	43.76%
Berry	39.48%
Tropical	38.91%
Apricot	36.15%

 

Flavor
Green	60.99%
Floral	59.88%
Waxy	54.33%
Fruity	51.62%
Sweet	45.23%
Rose	42.08%
Tropical	38.54%
Honey	35.7%
Oily	30.58%
Leaf	29.69%

 

Odor impact est.
Medium

XLogP3-AA
3.2

pKa est.
7.37 (neutral)

Molecular weight
192.25 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
244°C

Flash point

• 111.54 ˚C est.

• methyl 2-phenylpentanoate
• SCHEMBL2288515
• phenylpentanoic acid methyl ester

Methyl 2-phenylpentanoate is primarily used as an aroma chemical in perfumery and cosmetics, contributing to floral and subtle woody scent notes. It may also serve as a flavor/aroma ingredient in specialty foods and beverages at trace levels. In industrial manufacturing it acts as an intermediate for the synthesis of more complex fragrance molecules and related compounds. It can be used as a fragrance ingredient in household products such as cleaners and air fresheners. As a relatively specialized ester, it is often evaluated as a building block in fragrance and flavor ingredient development, with use limited by regulatory and formulation constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1906.83
methanol	2304.22
isopropanol	1371.03
water	1.42
ethyl acetate	809.74
n-propanol	1497.01
acetone	1433.09
n-butanol	1279.15
acetonitrile	1478.84
DMF	2988.6
toluene	567.7
isobutanol	1067.46
1,4-dioxane	1771.51
methyl acetate	934.98
THF	1310.7
2-butanone	1102.44
n-pentanol	853.08
sec-butanol	1086.41
n-hexane	48.56
ethylene glycol	380.22
NMP	1349.4
cyclohexane	149.43
DMSO	1486.44
n-butyl acetate	643.59
n-octanol	334.71
chloroform	4719.84
n-propyl acetate	542.29
acetic acid	1003.62
dichloromethane	4781.38
cyclohexanone	1730.33
propylene glycol	426.58
isopropyl acetate	406.89
DMAc	1320.08
2-ethoxyethanol	816.93
isopentanol	847.96
n-heptane	38.57
ethyl formate	1046.16
1,2-dichloroethane	2722.12
n-hexanol	733.92
2-methoxyethanol	1418.14
isobutyl acetate	326.71
tetrachloromethane	404.27
n-pentyl acetate	356.24
transcutol	1183.83
n-heptanol	331.86
ethylbenzene	317.29
MIBK	407.22
2-propoxyethanol	804.61
tert-butanol	992.26
MTBE	627.43
2-butoxyethanol	489.27
propionic acid	939.8
o-xylene	319.95
formic acid	316.46
diethyl ether	720.85
m-xylene	323.47
p-xylene	358.16
chlorobenzene	1050.16
dimethyl carbonate	337.04
n-octane	27.67
formamide	670.16
cyclopentanone	1488.27
2-pentanone	788.82
anisole	585.88
cyclopentyl methyl ether	569.33
gamma-butyrolactone	1590.69
1-methoxy-2-propanol	857.74
pyridine	1942.04
3-pentanone	545.3
furfural	1545.5
n-dodecane	30.07
diethylene glycol	619.51
diisopropyl ether	145.25
tert-amyl alcohol	809.14
acetylacetone	652.33
n-hexadecane	34.52
acetophenone	538.45
methyl propionate	669.03
isopentyl acetate	531.56
trichloroethylene	4478.34
n-nonanol	272.67
cyclohexanol	982.06
benzyl alcohol	626.99
2-ethylhexanol	338.95
isooctanol	251.81
dipropyl ether	276.44
1,2-dichlorobenzene	807.42
ethyl lactate	282.33
propylene carbonate	973.26
n-methylformamide	1529.03
2-pentanol	642.65
n-pentane	57.81
1-propoxy-2-propanol	507.3
1-methoxy-2-propyl acetate	446.45
2-(2-methoxypropoxy) propanol	327.26
mesitylene	190.96
ε-caprolactone	1190.53
p-cymene	162.09
epichlorohydrin	2078.1
1,1,1-trichloroethane	1652.01
2-aminoethanol	774.35
morpholine-4-carbaldehyde	1217.54
sulfolane	1482.67
2,2,4-trimethylpentane	37.79
2-methyltetrahydrofuran	1014.49
n-hexyl acetate	515.76
isooctane	29.69
2-(2-butoxyethoxy)ethanol	497.33
sec-butyl acetate	303.65
tert-butyl acetate	367.24
decalin	68.16
glycerin	474.4
diglyme	935.67
acrylic acid	757.23
isopropyl myristate	182.85
n-butyric acid	1190.37
acetyl acetate	431.66
di(2-ethylhexyl) phthalate	174.93
ethyl propionate	413.3
nitromethane	1650.07
1,2-diethoxyethane	479.67
benzonitrile	945.17
trioctyl phosphate	140.48
1-bromopropane	1255.44
gamma-valerolactone	1690.95
n-decanol	201.88
triethyl phosphate	185.04
4-methyl-2-pentanol	273.95
propionitrile	1318.95
vinylene carbonate	1099.95
1,1,2-trichlorotrifluoroethane	1217.52
DMS	349.0
cumene	197.97
2-octanol	239.33
2-hexanone	556.04
octyl acetate	256.4
limonene	226.43
1,2-dimethoxyethane	1205.45
ethyl orthosilicate	173.75
tributyl phosphate	159.25
diacetone alcohol	476.8
N,N-dimethylaniline	339.61
acrylonitrile	1691.35
aniline	799.97
1,3-propanediol	968.35
bromobenzene	1122.23
dibromomethane	2949.81
1,1,2,2-tetrachloroethane	3059.08
2-methyl-cyclohexyl acetate	279.66
tetrabutyl urea	229.03
diisobutyl methanol	173.97
2-phenylethanol	487.88
styrene	455.44
dioctyl adipate	254.94
dimethyl sulfate	464.77
ethyl butyrate	405.18
methyl lactate	332.73
butyl lactate	295.22
diethyl carbonate	318.58
propanediol butyl ether	442.63
triethyl orthoformate	254.81
p-tert-butyltoluene	148.07
methyl 4-tert-butylbenzoate	354.82
morpholine	2097.78
tert-butylamine	600.92
n-dodecanol	154.22
dimethoxymethane	958.06
ethylene carbonate	928.95
cyrene	356.24
2-ethoxyethyl acetate	428.74
2-ethylhexyl acetate	387.48
1,2,4-trichlorobenzene	850.64
4-methylpyridine	1563.31
dibutyl ether	283.78
2,6-dimethyl-4-heptanol	173.97
DEF	1023.71
dimethyl isosorbide	489.94
tetrachloroethylene	1911.49
eugenol	383.76
triacetin	361.48
span 80	323.77
1,4-butanediol	476.82
1,1-dichloroethane	2429.17
2-methyl-1-pentanol	608.69
methyl formate	1068.23
2-methyl-1-butanol	883.8
n-decane	46.7
butyronitrile	1364.62
3,7-dimethyl-1-octanol	257.79
1-chlorooctane	233.56
1-chlorotetradecane	92.29
n-nonane	45.01
undecane	36.54
tert-butylcyclohexane	60.89
cyclooctane	33.99
cyclopentanol	923.87
tetrahydropyran	1599.54
tert-amyl methyl ether	398.36
2,5,8-trioxanonane	580.12
1-hexene	306.51
2-isopropoxyethanol	493.84
2,2,2-trifluoroethanol	322.64
methyl butyrate	698.09

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