Molecular formula
C17H24O2

SMILES
CCCCCCCC(=O)OCC=CC1=CC=CC=C1

Fragrance
Fruity	60.29%
Green	59.81%
Floral	59.33%
Balsamic	58.5%
Sweet	55.21%
Herbal	51.96%
Waxy	49.4%
Fatty	47.28%
Rose	45.55%
Oily	44.54%

 

Flavor
Green	66.98%
Waxy	61.71%
Fruity	46.25%
Floral	42.64%
Balsam	37.74%
Fresh	35.71%
Sweet	35.49%
Oily	35.09%
Rose	31.9%
Leaf	31.21%

 

Odor impact est.
Medium

XLogP3-AA
5.2

pKa est.
7.24 (neutral)

Molecular weight
260.4 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
337°C

Flash point

• 167.4 ˚C est.

3-phenylprop-2-enyl octanoate is an ester with a cinnamyl-type fragrance moiety commonly used as a fragrance ingredient. In practice, it acts as a fragrance component and a fixative to extend aroma in perfumery, and it is employed in cosmetics and personal care products (creams, lotions, and shampoos) to impart and retain scent. It is also used in household products such as detergents and cleaners to provide a stable fragrance. As an aromatic intermediate in fragrance chemistry, it may be used as a solvent or carrier for fragrance oils in formulations, and it can serve as a scent-release additive for coatings and inks where a lipophilic aroma is desirable.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1638.37
methanol	2038.76
isopropanol	840.17
water	0.1
ethyl acetate	2596.24
n-propanol	1112.82
acetone	4269.9
n-butanol	906.01
acetonitrile	2028.55
DMF	3726.39
toluene	910.39
isobutanol	744.24
1,4-dioxane	1928.9
methyl acetate	1761.79
THF	2606.26
2-butanone	2398.88
n-pentanol	649.96
sec-butanol	782.61
n-hexane	82.58
ethylene glycol	112.37
NMP	2223.62
cyclohexane	153.62
DMSO	5515.01
n-butyl acetate	1267.51
n-octanol	162.53
chloroform	4528.21
n-propyl acetate	1421.53
acetic acid	1071.55
dichloromethane	6589.33
cyclohexanone	2706.72
propylene glycol	234.02
isopropyl acetate	1287.11
DMAc	2656.29
2-ethoxyethanol	1008.88
isopentanol	723.84
n-heptane	33.5
ethyl formate	883.45
1,2-dichloroethane	5237.89
n-hexanol	485.65
2-methoxyethanol	1521.07
isobutyl acetate	771.07
tetrachloromethane	417.7
n-pentyl acetate	674.94
transcutol	4390.48
n-heptanol	189.38
ethylbenzene	389.01
MIBK	985.97
2-propoxyethanol	933.17
tert-butanol	873.76
MTBE	1410.88
2-butoxyethanol	497.94
propionic acid	866.3
o-xylene	432.86
formic acid	249.96
diethyl ether	2043.02
m-xylene	467.85
p-xylene	440.31
chlorobenzene	1342.93
dimethyl carbonate	673.15
n-octane	15.79
formamide	655.27
cyclopentanone	2893.56
2-pentanone	2125.92
anisole	883.46
cyclopentyl methyl ether	1495.0
gamma-butyrolactone	2682.45
1-methoxy-2-propanol	1145.48
pyridine	2327.33
3-pentanone	1551.34
furfural	1772.85
n-dodecane	13.05
diethylene glycol	543.11
diisopropyl ether	385.25
tert-amyl alcohol	751.66
acetylacetone	2126.49
n-hexadecane	15.92
acetophenone	840.36
methyl propionate	1845.11
isopentyl acetate	1030.36
trichloroethylene	6929.83
n-nonanol	153.35
cyclohexanol	836.35
benzyl alcohol	577.17
2-ethylhexanol	302.21
isooctanol	177.72
dipropyl ether	569.29
1,2-dichlorobenzene	1179.38
ethyl lactate	371.95
propylene carbonate	1252.27
n-methylformamide	1460.66
2-pentanol	597.01
n-pentane	55.05
1-propoxy-2-propanol	690.51
1-methoxy-2-propyl acetate	990.51
2-(2-methoxypropoxy) propanol	500.81
mesitylene	266.52
ε-caprolactone	1818.11
p-cymene	163.96
epichlorohydrin	3883.04
1,1,1-trichloroethane	2662.49
2-aminoethanol	378.92
morpholine-4-carbaldehyde	1648.92
sulfolane	3319.95
2,2,4-trimethylpentane	45.1
2-methyltetrahydrofuran	2025.96
n-hexyl acetate	757.6
isooctane	32.71
2-(2-butoxyethoxy)ethanol	762.71
sec-butyl acetate	838.35
tert-butyl acetate	1128.94
decalin	85.58
glycerin	274.78
diglyme	1662.94
acrylic acid	640.19
isopropyl myristate	230.49
n-butyric acid	1427.84
acetyl acetate	1094.56
di(2-ethylhexyl) phthalate	211.45
ethyl propionate	1145.68
nitromethane	2998.21
1,2-diethoxyethane	1575.72
benzonitrile	855.21
trioctyl phosphate	141.43
1-bromopropane	2219.45
gamma-valerolactone	2755.96
n-decanol	108.97
triethyl phosphate	307.31
4-methyl-2-pentanol	279.94
propionitrile	1197.14
vinylene carbonate	1072.37
1,1,2-trichlorotrifluoroethane	1737.84
DMS	780.14
cumene	214.73
2-octanol	135.02
2-hexanone	1275.67
octyl acetate	289.35
limonene	276.23
1,2-dimethoxyethane	1663.22
ethyl orthosilicate	295.36
tributyl phosphate	222.58
diacetone alcohol	925.35
N,N-dimethylaniline	489.17
acrylonitrile	1429.1
aniline	943.25
1,3-propanediol	577.43
bromobenzene	1605.81
dibromomethane	3898.0
1,1,2,2-tetrachloroethane	5329.24
2-methyl-cyclohexyl acetate	502.2
tetrabutyl urea	303.56
diisobutyl methanol	172.9
2-phenylethanol	471.95
styrene	627.51
dioctyl adipate	368.43
dimethyl sulfate	1045.39
ethyl butyrate	819.46
methyl lactate	498.09
butyl lactate	453.15
diethyl carbonate	507.57
propanediol butyl ether	436.62
triethyl orthoformate	457.03
p-tert-butyltoluene	150.51
methyl 4-tert-butylbenzoate	472.08
morpholine	2563.44
tert-butylamine	513.6
n-dodecanol	82.72
dimethoxymethane	2059.04
ethylene carbonate	941.39
cyrene	454.99
2-ethoxyethyl acetate	1036.49
2-ethylhexyl acetate	769.8
1,2,4-trichlorobenzene	1362.47
4-methylpyridine	2196.36
dibutyl ether	496.3
2,6-dimethyl-4-heptanol	172.9
DEF	2234.15
dimethyl isosorbide	917.23
tetrachloroethylene	2835.28
eugenol	475.17
triacetin	729.58
span 80	405.58
1,4-butanediol	245.79
1,1-dichloroethane	3758.9
2-methyl-1-pentanol	561.48
methyl formate	875.55
2-methyl-1-butanol	766.17
n-decane	23.27
butyronitrile	1236.43
3,7-dimethyl-1-octanol	212.37
1-chlorooctane	180.22
1-chlorotetradecane	59.37
n-nonane	22.48
undecane	16.51
tert-butylcyclohexane	65.23
cyclooctane	35.03
cyclopentanol	758.07
tetrahydropyran	2422.16
tert-amyl methyl ether	896.4
2,5,8-trioxanonane	932.78
1-hexene	513.17
2-isopropoxyethanol	701.35
2,2,2-trifluoroethanol	303.11
methyl butyrate	1599.4

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