Molecular formula
C16H15NO2

SMILES
C1=CC=C(C=C1)C=CCOC(=O)C2=CC=CC=C2N

Fragrance
Floral	84.86%
Fruity	70.61%
Sweet	66.39%
Grape	59.77%
Balsamic	52.74%
Honey	43.29%
Neroli	42.53%
Rose	42.18%
Orange	40.39%
Powdery	32.62%

 

Flavor
Sweet	60.57%
Balsam	54.51%
Floral	51.75%
Fruity	47.99%
Honey	39.78%
Strawberry	32.98%
Cherry	32.45%
Powdery	32.44%
Chocolate	32.36%
Grape	32.1%

 

Odor impact est.
Medium

XLogP3-AA
4.0

pKa est.
5.63 (weak acid)

Molecular weight
253.29 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
324°C

Flash point

• 210.35 ˚C est.

• SCHEMBL826956
• CHEMBL3183749
• Q63088171

3-Phenylprop-2-enyl 2-aminobenzoate is typically used as a fragrance ingredient and characteristic odorant in practical applications across perfumery, cosmetics/personal care, and household products, contributing aroma notes in perfumes, lotions, and cleaning formulations. It may also serve as an intermediate in organic synthesis for related esters and aromatic compounds within industrial manufacturing, and can appear in coatings and inks as a scent-bearing additive or a precursor for fragrance-related polymers. Use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	119.69
methanol	136.68
isopropanol	69.03
water	0.08
ethyl acetate	219.62
n-propanol	98.15
acetone	580.49
n-butanol	78.0
acetonitrile	246.26
DMF	629.23
toluene	102.32
isobutanol	57.43
1,4-dioxane	348.82
methyl acetate	230.76
THF	937.28
2-butanone	319.72
n-pentanol	57.64
sec-butanol	64.9
n-hexane	1.68
ethylene glycol	19.48
NMP	335.59
cyclohexane	3.24
DMSO	1328.98
n-butyl acetate	80.17
n-octanol	15.08
chloroform	603.76
n-propyl acetate	95.29
acetic acid	158.27
dichloromethane	701.91
cyclohexanone	330.32
propylene glycol	49.02
isopropyl acetate	85.04
DMAc	473.89
2-ethoxyethanol	120.94
isopentanol	58.25
n-heptane	1.99
ethyl formate	134.67
1,2-dichloroethane	643.14
n-hexanol	44.9
2-methoxyethanol	254.7
isobutyl acetate	49.2
tetrachloromethane	17.83
n-pentyl acetate	38.71
transcutol	430.77
n-heptanol	23.95
ethylbenzene	28.76
MIBK	98.72
2-propoxyethanol	107.96
tert-butanol	78.62
MTBE	63.13
2-butoxyethanol	68.58
propionic acid	116.97
o-xylene	34.52
formic acid	54.7
diethyl ether	119.78
m-xylene	36.06
p-xylene	32.27
chlorobenzene	151.07
dimethyl carbonate	136.21
n-octane	0.96
formamide	184.04
cyclopentanone	651.58
2-pentanone	233.12
anisole	98.43
cyclopentyl methyl ether	170.71
gamma-butyrolactone	638.42
1-methoxy-2-propanol	175.01
pyridine	394.95
3-pentanone	162.43
furfural	359.24
n-dodecane	1.28
diethylene glycol	88.87
diisopropyl ether	16.28
tert-amyl alcohol	58.35
acetylacetone	271.46
n-hexadecane	1.5
acetophenone	99.23
methyl propionate	210.26
isopentyl acetate	63.19
trichloroethylene	919.37
n-nonanol	16.17
cyclohexanol	69.82
benzyl alcohol	78.63
2-ethylhexanol	27.11
isooctanol	21.41
dipropyl ether	40.33
1,2-dichlorobenzene	107.7
ethyl lactate	53.05
propylene carbonate	218.94
n-methylformamide	282.36
2-pentanol	41.69
n-pentane	1.28
1-propoxy-2-propanol	72.89
1-methoxy-2-propyl acetate	99.08
2-(2-methoxypropoxy) propanol	66.43
mesitylene	17.4
ε-caprolactone	206.85
p-cymene	16.17
epichlorohydrin	872.56
1,1,1-trichloroethane	221.59
2-aminoethanol	58.57
morpholine-4-carbaldehyde	243.38
sulfolane	669.44
2,2,4-trimethylpentane	2.13
2-methyltetrahydrofuran	304.8
n-hexyl acetate	48.22
isooctane	1.63
2-(2-butoxyethoxy)ethanol	100.61
sec-butyl acetate	52.2
tert-butyl acetate	79.04
decalin	3.61
glycerin	73.0
diglyme	232.08
acrylic acid	112.4
isopropyl myristate	19.82
n-butyric acid	152.55
acetyl acetate	107.67
di(2-ethylhexyl) phthalate	25.79
ethyl propionate	88.39
nitromethane	587.77
1,2-diethoxyethane	96.17
benzonitrile	104.6
trioctyl phosphate	17.35
1-bromopropane	154.8
gamma-valerolactone	498.7
n-decanol	13.11
triethyl phosphate	35.55
4-methyl-2-pentanol	24.92
propionitrile	147.69
vinylene carbonate	183.38
1,1,2-trichlorotrifluoroethane	319.65
DMS	72.26
cumene	17.04
2-octanol	12.74
2-hexanone	105.88
octyl acetate	26.79
limonene	23.11
1,2-dimethoxyethane	243.69
ethyl orthosilicate	31.56
tributyl phosphate	22.03
diacetone alcohol	115.95
N,N-dimethylaniline	48.98
acrylonitrile	223.61
aniline	128.63
1,3-propanediol	89.13
bromobenzene	143.09
dibromomethane	365.29
1,1,2,2-tetrachloroethane	648.35
2-methyl-cyclohexyl acetate	47.34
tetrabutyl urea	32.8
diisobutyl methanol	17.57
2-phenylethanol	60.85
styrene	46.62
dioctyl adipate	39.23
dimethyl sulfate	207.8
ethyl butyrate	64.97
methyl lactate	102.38
butyl lactate	40.91
diethyl carbonate	47.4
propanediol butyl ether	51.71
triethyl orthoformate	43.8
p-tert-butyltoluene	14.76
methyl 4-tert-butylbenzoate	65.8
morpholine	408.67
tert-butylamine	34.13
n-dodecanol	10.48
dimethoxymethane	377.54
ethylene carbonate	145.07
cyrene	84.5
2-ethoxyethyl acetate	72.32
2-ethylhexyl acetate	46.66
1,2,4-trichlorobenzene	135.95
4-methylpyridine	262.46
dibutyl ether	27.35
2,6-dimethyl-4-heptanol	17.57
DEF	191.66
dimethyl isosorbide	128.92
tetrachloroethylene	265.44
eugenol	65.54
triacetin	66.88
span 80	48.31
1,4-butanediol	32.19
1,1-dichloroethane	382.28
2-methyl-1-pentanol	48.55
methyl formate	235.26
2-methyl-1-butanol	54.27
n-decane	1.87
butyronitrile	129.6
3,7-dimethyl-1-octanol	19.05
1-chlorooctane	12.25
1-chlorotetradecane	5.47
n-nonane	1.5
undecane	1.52
tert-butylcyclohexane	3.04
cyclooctane	1.08
cyclopentanol	106.4
tetrahydropyran	329.56
tert-amyl methyl ether	45.98
2,5,8-trioxanonane	144.39
1-hexene	16.51
2-isopropoxyethanol	76.09
2,2,2-trifluoroethanol	58.23
methyl butyrate	120.81

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