Molecular formula
C15H15NO2

SMILES
CC(C1=CC=CC=C1)C(=O)OC2=CC=CC=C2N

Fragrance
Fruity	54.26%
Floral	52.6%
Grape	48.67%
Sweet	46.6%
Honey	41.71%
Neroli	32.26%
Berry	31.34%
Powdery	30.4%
Balsamic	29.56%
Animal	28.74%

 

Flavor
Fruity	45.64%
Floral	41.84%
Sweet	41.7%
Bitter	33.73%
Honey	31.68%
Mild	29.36%
Rose	25.83%
Balsam	24.47%
Waxy	23.44%
Grape	22.99%

 

Odor impact est.
Medium

XLogP3-AA
3.2

pKa est.
5.83 (weak acid)

Molecular weight
241.28 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
329°C

Flash point

• 183.26 ˚C est.

Primarily used as an intermediate in organic synthesis, with applications in pharmaceutical development; it also serves as a fragrance intermediate in perfumery and as a cosmetic formulation intermediate in personal care; it functions as a building block in polymer and plastics chemistry; and it can act as a reactive ester in coatings and inks formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	101.3
methanol	195.58
isopropanol	41.48
water	0.41
ethyl acetate	275.52
n-propanol	66.98
acetone	224.92
n-butanol	51.46
acetonitrile	249.49
DMF	434.05
toluene	58.84
isobutanol	33.62
1,4-dioxane	290.43
methyl acetate	245.81
THF	293.43
2-butanone	209.87
n-pentanol	41.91
sec-butanol	42.36
n-hexane	0.78
ethylene glycol	18.96
NMP	123.62
cyclohexane	1.86
DMSO	374.83
n-butyl acetate	104.57
n-octanol	20.26
chloroform	441.18
n-propyl acetate	114.22
acetic acid	188.26
dichloromethane	495.97
cyclohexanone	181.32
propylene glycol	24.09
isopropyl acetate	103.82
DMAc	478.92
2-ethoxyethanol	128.59
isopentanol	49.11
n-heptane	1.26
ethyl formate	154.37
1,2-dichloroethane	384.42
n-hexanol	45.05
2-methoxyethanol	225.73
isobutyl acetate	61.09
tetrachloromethane	13.75
n-pentyl acetate	49.22
transcutol	444.75
n-heptanol	28.06
ethylbenzene	35.08
MIBK	75.76
2-propoxyethanol	112.72
tert-butanol	68.89
MTBE	63.73
2-butoxyethanol	76.69
propionic acid	93.48
o-xylene	36.18
formic acid	87.78
diethyl ether	101.81
m-xylene	28.97
p-xylene	40.89
chlorobenzene	118.64
dimethyl carbonate	120.22
n-octane	1.09
formamide	276.24
cyclopentanone	230.51
2-pentanone	135.91
anisole	105.47
cyclopentyl methyl ether	57.16
gamma-butyrolactone	296.74
1-methoxy-2-propanol	117.52
pyridine	285.88
3-pentanone	118.16
furfural	316.81
n-dodecane	1.56
diethylene glycol	93.55
diisopropyl ether	15.53
tert-amyl alcohol	55.65
acetylacetone	217.77
n-hexadecane	1.79
acetophenone	105.51
methyl propionate	172.25
isopentyl acetate	90.68
trichloroethylene	699.78
n-nonanol	21.22
cyclohexanol	32.44
benzyl alcohol	73.57
2-ethylhexanol	28.11
isooctanol	24.26
dipropyl ether	32.93
1,2-dichlorobenzene	104.13
ethyl lactate	46.95
propylene carbonate	158.63
n-methylformamide	215.6
2-pentanol	26.45
n-pentane	0.6
1-propoxy-2-propanol	65.53
1-methoxy-2-propyl acetate	107.46
2-(2-methoxypropoxy) propanol	75.32
mesitylene	16.79
ε-caprolactone	150.46
p-cymene	18.67
epichlorohydrin	467.36
1,1,1-trichloroethane	141.49
2-aminoethanol	49.58
morpholine-4-carbaldehyde	199.77
sulfolane	234.08
2,2,4-trimethylpentane	1.62
2-methyltetrahydrofuran	102.16
n-hexyl acetate	58.98
isooctane	1.23
2-(2-butoxyethoxy)ethanol	111.05
sec-butyl acetate	68.57
tert-butyl acetate	90.9
decalin	2.94
glycerin	44.39
diglyme	265.31
acrylic acid	98.01
isopropyl myristate	24.58
n-butyric acid	146.27
acetyl acetate	164.91
di(2-ethylhexyl) phthalate	29.58
ethyl propionate	98.4
nitromethane	570.74
1,2-diethoxyethane	129.64
benzonitrile	111.75
trioctyl phosphate	19.25
1-bromopropane	81.67
gamma-valerolactone	309.15
n-decanol	16.78
triethyl phosphate	37.65
4-methyl-2-pentanol	22.8
propionitrile	145.58
vinylene carbonate	188.91
1,1,2-trichlorotrifluoroethane	199.65
DMS	84.58
cumene	21.41
2-octanol	16.64
2-hexanone	92.82
octyl acetate	31.21
limonene	21.37
1,2-dimethoxyethane	267.43
ethyl orthosilicate	35.69
tributyl phosphate	24.52
diacetone alcohol	99.07
N,N-dimethylaniline	53.42
acrylonitrile	245.79
aniline	81.56
1,3-propanediol	76.94
bromobenzene	116.16
dibromomethane	230.88
1,1,2,2-tetrachloroethane	437.43
2-methyl-cyclohexyl acetate	51.05
tetrabutyl urea	33.82
diisobutyl methanol	18.93
2-phenylethanol	66.96
styrene	50.74
dioctyl adipate	41.89
dimethyl sulfate	146.03
ethyl butyrate	79.58
methyl lactate	71.13
butyl lactate	41.98
diethyl carbonate	63.12
propanediol butyl ether	52.58
triethyl orthoformate	51.16
p-tert-butyltoluene	17.44
methyl 4-tert-butylbenzoate	69.66
morpholine	225.54
tert-butylamine	28.64
n-dodecanol	13.42
dimethoxymethane	284.32
ethylene carbonate	138.34
cyrene	70.94
2-ethoxyethyl acetate	98.98
2-ethylhexyl acetate	63.18
1,2,4-trichlorobenzene	111.37
4-methylpyridine	184.79
dibutyl ether	32.65
2,6-dimethyl-4-heptanol	18.93
DEF	163.84
dimethyl isosorbide	125.39
tetrachloroethylene	234.62
eugenol	74.58
triacetin	74.72
span 80	49.65
1,4-butanediol	29.61
1,1-dichloroethane	200.97
2-methyl-1-pentanol	45.54
methyl formate	192.79
2-methyl-1-butanol	41.6
n-decane	2.11
butyronitrile	110.65
3,7-dimethyl-1-octanol	24.27
1-chlorooctane	13.5
1-chlorotetradecane	6.55
n-nonane	1.51
undecane	1.79
tert-butylcyclohexane	2.72
cyclooctane	0.68
cyclopentanol	31.04
tetrahydropyran	134.78
tert-amyl methyl ether	46.44
2,5,8-trioxanonane	164.44
1-hexene	9.99
2-isopropoxyethanol	80.79
2,2,2-trifluoroethanol	69.69
methyl butyrate	134.46

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