Molecular formula
C17H16O2

SMILES
C1=CC=C(C=C1)CC(=O)OCC=CC2=CC=CC=C2

Fragrance
Sweet	88.09%
Balsamic	85.82%
Floral	76.68%
Honey	74.37%
Rose	73.49%
Spicy	71.53%
Cinnamon	63.45%
Fruity	48.57%
Cocoa	46.72%
Powdery	40.81%

 

Flavor
Sweet	80.14%
Floral	71.09%
Balsam	68.9%
Honey	67.5%
Rose	51.96%
Chocolate	44.59%
Hyacinth	43.14%
Cinnamon	41.86%
Waxy	34.04%
Cocoa	33.28%

 

Odor impact est.
Medium

XLogP3-AA
3.8

pKa est.
6.86 (neutral)

Molecular weight
252.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
361°C

Flash point

• 187.02 ˚C est.

• DTXSID70864075
• SFXQCOMMEMBETJ-UHFFFAOYSA-N

3-Phenylprop-2-enyl 2-phenylacetate is an ester commonly used as a fragrance ingredient and as a synthetic intermediate in the flavor/fragrance and cosmetics industries. Real-world applications include: (1) perfumery and fragrances, where it serves as an aroma component and may act as a fragrance intermediate; (2) cosmetics and personal care, where it adds scent or contributes to fragrance formulations; (3) household products, such as air fresheners and cleaning agents that incorporate aroma notes; (4) coatings and inks, where it can be used to impart or stabilize fragrance in coatings or printed materials; (5) polymers/plastics, where it may function as a chemical intermediate or specialty additive in polyester or related resin systems; (6) industrial manufacturing, as a precursor for the synthesis of more complex aroma compounds. Applications depend on local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	55.7
methanol	71.77
isopropanol	25.59
water	0.1
ethyl acetate	131.34
n-propanol	43.32
acetone	193.31
n-butanol	31.95
acetonitrile	112.32
DMF	328.58
toluene	50.5
isobutanol	23.48
1,4-dioxane	256.43
methyl acetate	139.54
THF	396.92
2-butanone	154.65
n-pentanol	35.53
sec-butanol	28.59
n-hexane	2.34
ethylene glycol	20.85
NMP	164.82
cyclohexane	3.09
DMSO	609.17
n-butyl acetate	82.06
n-octanol	13.59
chloroform	545.92
n-propyl acetate	87.16
acetic acid	93.85
dichloromethane	576.12
cyclohexanone	163.87
propylene glycol	39.5
isopropyl acetate	66.79
DMAc	424.88
2-ethoxyethanol	98.86
isopentanol	30.12
n-heptane	2.99
ethyl formate	68.74
1,2-dichloroethane	471.17
n-hexanol	32.74
2-methoxyethanol	132.28
isobutyl acetate	56.33
tetrachloromethane	16.74
n-pentyl acetate	33.49
transcutol	586.08
n-heptanol	15.85
ethylbenzene	36.36
MIBK	69.02
2-propoxyethanol	93.89
tert-butanol	35.9
MTBE	46.81
2-butoxyethanol	52.87
propionic acid	68.4
o-xylene	30.39
formic acid	32.29
diethyl ether	74.35
m-xylene	28.41
p-xylene	39.31
chlorobenzene	111.14
dimethyl carbonate	95.54
n-octane	1.37
formamide	87.75
cyclopentanone	261.39
2-pentanone	104.18
anisole	122.25
cyclopentyl methyl ether	84.14
gamma-butyrolactone	291.05
1-methoxy-2-propanol	102.55
pyridine	235.83
3-pentanone	99.43
furfural	230.16
n-dodecane	1.78
diethylene glycol	81.73
diisopropyl ether	16.88
tert-amyl alcohol	32.61
acetylacetone	191.37
n-hexadecane	2.07
acetophenone	109.49
methyl propionate	122.54
isopentyl acetate	72.66
trichloroethylene	690.08
n-nonanol	15.58
cyclohexanol	29.86
benzyl alcohol	69.8
2-ethylhexanol	25.9
isooctanol	15.79
dipropyl ether	51.86
1,2-dichlorobenzene	112.47
ethyl lactate	48.04
propylene carbonate	138.94
n-methylformamide	113.91
2-pentanol	20.5
n-pentane	1.14
1-propoxy-2-propanol	68.77
1-methoxy-2-propyl acetate	109.56
2-(2-methoxypropoxy) propanol	88.36
mesitylene	18.04
ε-caprolactone	122.68
p-cymene	21.13
epichlorohydrin	452.28
1,1,1-trichloroethane	164.6
2-aminoethanol	42.01
morpholine-4-carbaldehyde	195.17
sulfolane	334.52
2,2,4-trimethylpentane	2.62
2-methyltetrahydrofuran	133.67
n-hexyl acetate	47.89
isooctane	1.87
2-(2-butoxyethoxy)ethanol	113.71
sec-butyl acetate	57.86
tert-butyl acetate	73.13
decalin	5.87
glycerin	54.02
diglyme	256.75
acrylic acid	72.82
isopropyl myristate	25.28
n-butyric acid	77.44
acetyl acetate	94.63
di(2-ethylhexyl) phthalate	30.72
ethyl propionate	83.5
nitromethane	306.4
1,2-diethoxyethane	137.16
benzonitrile	85.86
trioctyl phosphate	17.09
1-bromopropane	111.87
gamma-valerolactone	262.06
n-decanol	12.84
triethyl phosphate	46.2
4-methyl-2-pentanol	18.58
propionitrile	80.31
vinylene carbonate	130.4
1,1,2-trichlorotrifluoroethane	219.37
DMS	91.12
cumene	24.46
2-octanol	8.88
2-hexanone	81.51
octyl acetate	29.2
limonene	26.63
1,2-dimethoxyethane	200.66
ethyl orthosilicate	41.09
tributyl phosphate	26.03
diacetone alcohol	86.56
N,N-dimethylaniline	70.61
acrylonitrile	125.13
aniline	68.9
1,3-propanediol	48.79
bromobenzene	117.49
dibromomethane	284.07
1,1,2,2-tetrachloroethane	551.15
2-methyl-cyclohexyl acetate	60.08
tetrabutyl urea	37.62
diisobutyl methanol	20.27
2-phenylethanol	55.52
styrene	53.78
dioctyl adipate	50.31
dimethyl sulfate	166.42
ethyl butyrate	75.76
methyl lactate	65.35
butyl lactate	39.57
diethyl carbonate	63.69
propanediol butyl ether	47.8
triethyl orthoformate	57.43
p-tert-butyltoluene	19.45
methyl 4-tert-butylbenzoate	75.83
morpholine	227.2
tert-butylamine	19.46
n-dodecanol	10.6
dimethoxymethane	213.99
ethylene carbonate	100.54
cyrene	82.91
2-ethoxyethyl acetate	76.48
2-ethylhexyl acetate	55.45
1,2,4-trichlorobenzene	132.94
4-methylpyridine	138.91
dibutyl ether	37.05
2,6-dimethyl-4-heptanol	20.27
DEF	123.45
dimethyl isosorbide	162.67
tetrachloroethylene	241.93
eugenol	74.38
triacetin	89.63
span 80	55.62
1,4-butanediol	23.29
1,1-dichloroethane	227.11
2-methyl-1-pentanol	36.52
methyl formate	94.78
2-methyl-1-butanol	27.2
n-decane	2.57
butyronitrile	63.0
3,7-dimethyl-1-octanol	21.68
1-chlorooctane	14.28
1-chlorotetradecane	7.28
n-nonane	2.1
undecane	2.09
tert-butylcyclohexane	5.16
cyclooctane	1.14
cyclopentanol	34.26
tetrahydropyran	147.29
tert-amyl methyl ether	41.08
2,5,8-trioxanonane	177.67
1-hexene	19.0
2-isopropoxyethanol	66.87
2,2,2-trifluoroethanol	36.63
methyl butyrate	101.26

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