Molecular formula
C14H20O2

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

Fragrance
Fruity	87.51%
Sweet	82.51%
Floral	68.33%
Balsamic	59.61%
Honey	53.99%
Rose	51.71%
Apricot	41.34%
Green	40.05%
Tropical	39.01%
Berry	38.21%

 

Flavor
Green	69.73%
Floral	62.43%
Fruity	57.34%
Sweet	56.88%
Waxy	52.09%
Rose	49.71%
Tropical	47.32%
Honey	37.04%
Bitter	33.95%
Leaf	30.78%

 

Odor impact est.
Medium

XLogP3-AA
4.0

pKa est.
7.48 (neutral)

Molecular weight
220.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
265°C

Flash point

• 121.12 ˚C est.

3-Methylbutyl 2-phenylpropanoate is primarily used as a fragrance ingredient and odorant in perfumery and cosmetic formulations, contributing fruity and light floral notes to scents. It may be used as a flavor/aroma component in certain flavor applications or aroma-delivery systems. In cosmetics and personal care, it functions as a fragrance constituent in products such as lotions, shampoos, and soaps. In household products like cleaners and air fresheners, it serves as a scent additive. In industrial manufacturing, it can act as an intermediate in the synthesis of aroma chemicals and fragrance blends. It may also be used as an odorant additive in coatings, inks, and certain polymer formulations to influence odor characteristics.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	3063.62
methanol	3060.66
isopropanol	1982.03
water	0.63
ethyl acetate	3093.24
n-propanol	2252.09
acetone	3258.15
n-butanol	1926.57
acetonitrile	3359.83
DMF	2578.28
toluene	865.79
isobutanol	1606.81
1,4-dioxane	3170.99
methyl acetate	2155.8
THF	2610.42
2-butanone	2512.83
n-pentanol	1089.99
sec-butanol	1687.95
n-hexane	217.16
ethylene glycol	154.41
NMP	1562.67
cyclohexane	406.5
DMSO	1601.65
n-butyl acetate	1866.09
n-octanol	393.74
chloroform	5602.42
n-propyl acetate	1382.57
acetic acid	1598.64
dichloromethane	5341.73
cyclohexanone	2985.81
propylene glycol	305.94
isopropyl acetate	1533.65
DMAc	1872.04
2-ethoxyethanol	1141.86
isopentanol	1484.0
n-heptane	71.97
ethyl formate	1363.28
1,2-dichloroethane	3792.7
n-hexanol	1118.45
2-methoxyethanol	1822.97
isobutyl acetate	804.54
tetrachloromethane	485.81
n-pentyl acetate	688.25
transcutol	3857.36
n-heptanol	382.6
ethylbenzene	500.9
MIBK	993.68
2-propoxyethanol	1437.17
tert-butanol	1789.5
MTBE	2149.98
2-butoxyethanol	674.69
propionic acid	1178.01
o-xylene	484.86
formic acid	330.83
diethyl ether	2891.03
m-xylene	529.64
p-xylene	695.98
chlorobenzene	1550.31
dimethyl carbonate	490.42
n-octane	37.51
formamide	730.13
cyclopentanone	2396.07
2-pentanone	2094.59
anisole	1008.99
cyclopentyl methyl ether	1368.62
gamma-butyrolactone	2316.88
1-methoxy-2-propanol	1329.1
pyridine	2486.83
3-pentanone	1453.15
furfural	1701.53
n-dodecane	32.52
diethylene glycol	775.02
diisopropyl ether	598.59
tert-amyl alcohol	1455.71
acetylacetone	1705.85
n-hexadecane	38.58
acetophenone	856.46
methyl propionate	1542.7
isopentyl acetate	1414.66
trichloroethylene	5905.1
n-nonanol	332.75
cyclohexanol	1367.32
benzyl alcohol	695.49
2-ethylhexanol	589.11
isooctanol	339.64
dipropyl ether	775.95
1,2-dichlorobenzene	1249.09
ethyl lactate	389.62
propylene carbonate	1389.01
n-methylformamide	1168.9
2-pentanol	1262.86
n-pentane	154.89
1-propoxy-2-propanol	1004.41
1-methoxy-2-propyl acetate	1141.93
2-(2-methoxypropoxy) propanol	623.81
mesitylene	312.58
ε-caprolactone	2304.47
p-cymene	238.39
epichlorohydrin	3454.31
1,1,1-trichloroethane	2851.61
2-aminoethanol	540.62
morpholine-4-carbaldehyde	1684.62
sulfolane	1824.72
2,2,4-trimethylpentane	86.83
2-methyltetrahydrofuran	2387.75
n-hexyl acetate	945.23
isooctane	68.36
2-(2-butoxyethoxy)ethanol	929.15
sec-butyl acetate	920.77
tert-butyl acetate	1211.19
decalin	156.32
glycerin	336.26
diglyme	1793.19
acrylic acid	805.69
isopropyl myristate	324.13
n-butyric acid	2172.84
acetyl acetate	1265.56
di(2-ethylhexyl) phthalate	272.44
ethyl propionate	1126.64
nitromethane	2692.8
1,2-diethoxyethane	1572.6
benzonitrile	1101.09
trioctyl phosphate	189.32
1-bromopropane	2102.17
gamma-valerolactone	2696.52
n-decanol	232.14
triethyl phosphate	326.91
4-methyl-2-pentanol	558.89
propionitrile	1974.29
vinylene carbonate	1261.91
1,1,2-trichlorotrifluoroethane	1400.67
DMS	718.88
cumene	316.1
2-octanol	279.55
2-hexanone	1305.74
octyl acetate	411.63
limonene	382.88
1,2-dimethoxyethane	2171.61
ethyl orthosilicate	319.19
tributyl phosphate	278.35
diacetone alcohol	972.21
N,N-dimethylaniline	528.73
acrylonitrile	1784.62
aniline	985.35
1,3-propanediol	993.48
bromobenzene	1638.29
dibromomethane	3358.58
1,1,2,2-tetrachloroethane	4687.97
2-methyl-cyclohexyl acetate	617.68
tetrabutyl urea	326.35
diisobutyl methanol	300.25
2-phenylethanol	687.31
styrene	681.52
dioctyl adipate	441.97
dimethyl sulfate	579.34
ethyl butyrate	1030.81
methyl lactate	441.18
butyl lactate	469.27
diethyl carbonate	625.82
propanediol butyl ether	542.71
triethyl orthoformate	552.19
p-tert-butyltoluene	220.83
methyl 4-tert-butylbenzoate	524.81
morpholine	3673.09
tert-butylamine	1163.74
n-dodecanol	169.47
dimethoxymethane	1475.25
ethylene carbonate	1192.46
cyrene	482.56
2-ethoxyethyl acetate	960.97
2-ethylhexyl acetate	1007.38
1,2,4-trichlorobenzene	1289.47
4-methylpyridine	2348.49
dibutyl ether	652.78
2,6-dimethyl-4-heptanol	300.25
DEF	1987.22
dimethyl isosorbide	941.93
tetrachloroethylene	2693.97
eugenol	533.52
triacetin	664.98
span 80	518.28
1,4-butanediol	346.69
1,1-dichloroethane	3799.37
2-methyl-1-pentanol	989.27
methyl formate	826.52
2-methyl-1-butanol	1465.49
n-decane	56.66
butyronitrile	2285.3
3,7-dimethyl-1-octanol	418.95
1-chlorooctane	317.29
1-chlorotetradecane	113.44
n-nonane	53.5
undecane	41.54
tert-butylcyclohexane	132.45
cyclooctane	84.98
cyclopentanol	1069.49
tetrahydropyran	3571.87
tert-amyl methyl ether	1175.74
2,5,8-trioxanonane	1041.86
1-hexene	937.76
2-isopropoxyethanol	838.05
2,2,2-trifluoroethanol	415.44
methyl butyrate	1653.7

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