Molecular formula
C15H22O2

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

Fragrance
Fruity	78.5%
Floral	68.69%
Herbal	60.19%
Green	50.67%
Sweet	50.17%
Rose	43.13%
Balsamic	40.24%
Spicy	38.34%
Jasmin	37.28%
Apple	35.64%

 

Flavor
Green	66.99%
Sweet	65.56%
Fruity	58.51%
Floral	55.73%
Rose	44.26%
Tropical	41.96%
Bitter	41.58%
Herbal	39.39%
Waxy	34.07%
Fresh	32.75%

 

Odor impact est.
Medium

XLogP3-AA
4.1

pKa est.
7.63 (neutral)

Molecular weight
234.33 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
282°C

Flash point

• 125.24 ˚C est.

4-phenylbutan-2-yl 3-methylbutanoate is commonly considered a fragrance ingredient and a potential fixative in perfumery, with additional utility as a solvent or processing aid in cosmetics, personal care, and household products; it may be used as an intermediate in fragrance synthesis and as a processing additive in coatings and inks; in some formulations, it can function as a plasticizer or formulation component for certain polymers under appropriate regulatory limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1951.57
methanol	2412.2
isopropanol	1461.93
water	0.83
ethyl acetate	981.81
n-propanol	1412.69
acetone	1900.71
n-butanol	1286.96
acetonitrile	1323.29
DMF	1376.66
toluene	476.61
isobutanol	1077.51
1,4-dioxane	1812.86
methyl acetate	764.3
THF	2101.0
2-butanone	1097.76
n-pentanol	951.05
sec-butanol	1178.59
n-hexane	268.92
ethylene glycol	151.42
NMP	997.91
cyclohexane	348.48
DMSO	1493.94
n-butyl acetate	854.23
n-octanol	402.55
chloroform	3925.28
n-propyl acetate	667.66
acetic acid	1108.07
dichloromethane	3090.3
cyclohexanone	1957.28
propylene glycol	349.82
isopropyl acetate	582.45
DMAc	930.03
2-ethoxyethanol	690.56
isopentanol	951.81
n-heptane	96.99
ethyl formate	655.84
1,2-dichloroethane	1745.76
n-hexanol	923.67
2-methoxyethanol	1072.12
isobutyl acetate	442.14
tetrachloromethane	317.41
n-pentyl acetate	449.73
transcutol	2176.25
n-heptanol	341.87
ethylbenzene	329.99
MIBK	543.78
2-propoxyethanol	973.69
tert-butanol	1169.51
MTBE	922.73
2-butoxyethanol	497.93
propionic acid	820.69
o-xylene	283.27
formic acid	240.46
diethyl ether	1221.67
m-xylene	309.42
p-xylene	433.4
chlorobenzene	845.86
dimethyl carbonate	241.63
n-octane	43.37
formamide	321.96
cyclopentanone	1494.25
2-pentanone	989.03
anisole	562.98
cyclopentyl methyl ether	887.26
gamma-butyrolactone	1391.84
1-methoxy-2-propanol	826.48
pyridine	1329.29
3-pentanone	651.0
furfural	1103.56
n-dodecane	34.99
diethylene glycol	538.21
diisopropyl ether	281.49
tert-amyl alcohol	909.08
acetylacetone	819.32
n-hexadecane	41.11
acetophenone	497.99
methyl propionate	591.07
isopentyl acetate	700.34
trichloroethylene	2758.84
n-nonanol	321.33
cyclohexanol	1123.94
benzyl alcohol	513.2
2-ethylhexanol	454.92
isooctanol	273.42
dipropyl ether	546.33
1,2-dichlorobenzene	723.19
ethyl lactate	277.07
propylene carbonate	899.34
n-methylformamide	627.35
2-pentanol	809.75
n-pentane	156.45
1-propoxy-2-propanol	700.6
1-methoxy-2-propyl acetate	569.18
2-(2-methoxypropoxy) propanol	459.96
mesitylene	199.87
ε-caprolactone	1226.38
p-cymene	175.02
epichlorohydrin	1702.28
1,1,1-trichloroethane	1328.43
2-aminoethanol	467.49
morpholine-4-carbaldehyde	962.25
sulfolane	1361.05
2,2,4-trimethylpentane	63.38
2-methyltetrahydrofuran	1405.46
n-hexyl acetate	688.81
isooctane	49.16
2-(2-butoxyethoxy)ethanol	688.92
sec-butyl acetate	408.96
tert-butyl acetate	546.85
decalin	117.99
glycerin	326.75
diglyme	1086.3
acrylic acid	564.93
isopropyl myristate	249.95
n-butyric acid	1275.99
acetyl acetate	538.0
di(2-ethylhexyl) phthalate	236.06
ethyl propionate	493.14
nitromethane	1260.27
1,2-diethoxyethane	770.71
benzonitrile	696.22
trioctyl phosphate	173.85
1-bromopropane	1177.9
gamma-valerolactone	1659.93
n-decanol	229.85
triethyl phosphate	220.65
4-methyl-2-pentanol	356.68
propionitrile	872.86
vinylene carbonate	834.82
1,1,2-trichlorotrifluoroethane	979.02
DMS	426.48
cumene	218.41
2-octanol	247.28
2-hexanone	814.44
octyl acetate	335.47
limonene	279.1
1,2-dimethoxyethane	1299.14
ethyl orthosilicate	213.86
tributyl phosphate	230.18
diacetone alcohol	572.23
N,N-dimethylaniline	353.85
acrylonitrile	829.11
aniline	614.09
1,3-propanediol	697.32
bromobenzene	890.2
dibromomethane	2203.14
1,1,2,2-tetrachloroethane	2488.43
2-methyl-cyclohexyl acetate	417.76
tetrabutyl urea	291.61
diisobutyl methanol	224.46
2-phenylethanol	500.69
styrene	410.09
dioctyl adipate	368.92
dimethyl sulfate	340.97
ethyl butyrate	512.65
methyl lactate	295.03
butyl lactate	375.4
diethyl carbonate	353.42
propanediol butyl ether	534.04
triethyl orthoformate	344.43
p-tert-butyltoluene	159.89
methyl 4-tert-butylbenzoate	400.73
morpholine	1956.07
tert-butylamine	756.4
n-dodecanol	177.01
dimethoxymethane	787.45
ethylene carbonate	744.24
cyrene	402.96
2-ethoxyethyl acetate	511.82
2-ethylhexyl acetate	520.26
1,2,4-trichlorobenzene	753.3
4-methylpyridine	1156.33
dibutyl ether	534.63
2,6-dimethyl-4-heptanol	224.46
DEF	792.58
dimethyl isosorbide	693.54
tetrachloroethylene	1419.86
eugenol	392.52
triacetin	524.71
span 80	461.97
1,4-butanediol	329.44
1,1-dichloroethane	1755.12
2-methyl-1-pentanol	740.94
methyl formate	496.63
2-methyl-1-butanol	952.32
n-decane	65.17
butyronitrile	1156.88
3,7-dimethyl-1-octanol	341.06
1-chlorooctane	294.47
1-chlorotetradecane	106.09
n-nonane	68.13
undecane	45.44
tert-butylcyclohexane	103.54
cyclooctane	78.05
cyclopentanol	963.07
tetrahydropyran	2072.98
tert-amyl methyl ether	552.51
2,5,8-trioxanonane	749.42
1-hexene	844.44
2-isopropoxyethanol	506.24
2,2,2-trifluoroethanol	277.9
methyl butyrate	757.54

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