Molecular formula
C17H15NO2

SMILES
COC(=O)C1=CC=CC=C1N=CC=CC2=CC=CC=C2

Fragrance
Sweet	74.43%
Spicy	65.7%
Cinnamon	57.27%
Floral	55.55%
Balsamic	46.09%
Fruity	36.95%
Powdery	33.33%
Warm	32.98%
Honey	30.36%
Green	29.61%

 

Flavor
Bitter	41.44%
Balsam	31.44%
Fruity	28.55%
Honey	25.32%
Sweet	23.84%
Chocolate	23.29%
Nitrile	22.26%
Floral	22.22%
Cinnamon	21.56%
Orange flower	21.26%

 

Odor impact est.
High

XLogP3-AA
3.5

pKa est.
5.53 (weak acid)

Molecular weight
265.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
410°C

Flash point

• 204.08 ˚C est.

• Methyl 2-[(3-phenyl-2-propen-1-ylidene)amino]benzoate
• Methyl 2-((3-phenyl-2-propen-1-ylidene)amino)benzoate
• SCHEMBL3505783
• DTXSID201021734
• NS00012092

Methyl 2-[(3-phenyl-2-propen-1-ylidene)amino]benzoate is typically used as an intermediate in organic synthesis, notably as a Schiff-base building block for dyes and pigment precursors; it is often evaluated as a fragrance-chemistry starting material for aroma compounds; in coatings, inks and plastics it can serve as a functional intermediate for dye additives and polymer modifiers; in cosmetics and personal care it may be used as a precursor for fragrance-related ingredients; in pharmaceutical and agrochemical research it is used as a synthetic intermediate for route development, subject to regulatory constraints.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	42.64
methanol	40.13
isopropanol	26.52
water	0.01
ethyl acetate	229.1
n-propanol	40.42
acetone	367.91
n-butanol	37.8
acetonitrile	171.64
DMF	539.92
toluene	346.08
isobutanol	29.96
1,4-dioxane	321.7
methyl acetate	231.39
THF	944.89
2-butanone	312.4
n-pentanol	38.34
sec-butanol	35.44
n-hexane	6.79
ethylene glycol	11.07
NMP	389.88
cyclohexane	17.09
DMSO	564.8
n-butyl acetate	92.27
n-octanol	15.35
chloroform	1354.58
n-propyl acetate	114.17
acetic acid	85.78
dichloromethane	1835.81
cyclohexanone	467.13
propylene glycol	21.45
isopropyl acetate	103.42
DMAc	478.31
2-ethoxyethanol	87.57
isopentanol	36.22
n-heptane	6.2
ethyl formate	119.66
1,2-dichloroethane	1213.43
n-hexanol	35.5
2-methoxyethanol	141.79
isobutyl acetate	64.8
tetrachloromethane	50.32
n-pentyl acetate	50.78
transcutol	314.69
n-heptanol	19.44
ethylbenzene	77.19
MIBK	106.08
2-propoxyethanol	85.65
tert-butanol	39.45
MTBE	66.38
2-butoxyethanol	52.14
propionic acid	72.34
o-xylene	83.61
formic acid	23.33
diethyl ether	128.19
m-xylene	94.67
p-xylene	81.7
chlorobenzene	347.56
dimethyl carbonate	153.24
n-octane	2.88
formamide	83.8
cyclopentanone	792.41
2-pentanone	235.98
anisole	170.28
cyclopentyl methyl ether	258.09
gamma-butyrolactone	660.74
1-methoxy-2-propanol	107.43
pyridine	614.92
3-pentanone	210.57
furfural	476.93
n-dodecane	2.78
diethylene glycol	61.55
diisopropyl ether	26.73
tert-amyl alcohol	39.28
acetylacetone	300.64
n-hexadecane	3.39
acetophenone	161.2
methyl propionate	231.79
isopentyl acetate	78.97
trichloroethylene	1986.33
n-nonanol	16.85
cyclohexanol	69.26
benzyl alcohol	107.82
2-ethylhexanol	29.46
isooctanol	19.15
dipropyl ether	56.22
1,2-dichlorobenzene	245.75
ethyl lactate	50.88
propylene carbonate	246.7
n-methylformamide	177.79
2-pentanol	28.25
n-pentane	4.67
1-propoxy-2-propanol	60.67
1-methoxy-2-propyl acetate	112.83
2-(2-methoxypropoxy) propanol	63.02
mesitylene	41.17
ε-caprolactone	280.81
p-cymene	29.04
epichlorohydrin	1165.17
1,1,1-trichloroethane	462.42
2-aminoethanol	24.45
morpholine-4-carbaldehyde	299.01
sulfolane	677.5
2,2,4-trimethylpentane	4.86
2-methyltetrahydrofuran	357.45
n-hexyl acetate	62.67
isooctane	3.35
2-(2-butoxyethoxy)ethanol	81.54
sec-butyl acetate	72.53
tert-butyl acetate	96.11
decalin	11.36
glycerin	35.67
diglyme	217.0
acrylic acid	83.71
isopropyl myristate	28.99
n-butyric acid	100.94
acetyl acetate	138.19
di(2-ethylhexyl) phthalate	33.22
ethyl propionate	112.13
nitromethane	367.41
1,2-diethoxyethane	102.93
benzonitrile	174.02
trioctyl phosphate	19.59
1-bromopropane	343.88
gamma-valerolactone	556.82
n-decanol	14.28
triethyl phosphate	45.64
4-methyl-2-pentanol	20.11
propionitrile	135.82
vinylene carbonate	221.04
1,1,2-trichlorotrifluoroethane	352.28
DMS	106.84
cumene	37.52
2-octanol	12.47
2-hexanone	120.77
octyl acetate	35.85
limonene	39.97
1,2-dimethoxyethane	221.2
ethyl orthosilicate	40.72
tributyl phosphate	27.54
diacetone alcohol	101.98
N,N-dimethylaniline	82.5
acrylonitrile	226.45
aniline	212.49
1,3-propanediol	38.56
bromobenzene	431.22
dibromomethane	972.96
1,1,2,2-tetrachloroethane	1234.81
2-methyl-cyclohexyl acetate	63.19
tetrabutyl urea	39.69
diisobutyl methanol	20.77
2-phenylethanol	79.16
styrene	123.86
dioctyl adipate	52.76
dimethyl sulfate	235.19
ethyl butyrate	83.02
methyl lactate	81.27
butyl lactate	40.84
diethyl carbonate	61.51
propanediol butyl ether	37.31
triethyl orthoformate	56.91
p-tert-butyltoluene	26.43
methyl 4-tert-butylbenzoate	82.34
morpholine	360.2
tert-butylamine	23.95
n-dodecanol	12.33
dimethoxymethane	319.92
ethylene carbonate	168.24
cyrene	91.65
2-ethoxyethyl acetate	90.37
2-ethylhexyl acetate	63.4
1,2,4-trichlorobenzene	308.19
4-methylpyridine	451.55
dibutyl ether	40.4
2,6-dimethyl-4-heptanol	20.77
DEF	240.72
dimethyl isosorbide	146.81
tetrachloroethylene	568.28
eugenol	77.27
triacetin	86.38
span 80	46.58
1,4-butanediol	17.79
1,1-dichloroethane	702.22
2-methyl-1-pentanol	40.19
methyl formate	168.39
2-methyl-1-butanol	36.59
n-decane	4.08
butyronitrile	117.0
3,7-dimethyl-1-octanol	21.52
1-chlorooctane	23.17
1-chlorotetradecane	10.47
n-nonane	3.59
undecane	3.3
tert-butylcyclohexane	8.4
cyclooctane	5.79
cyclopentanol	83.65
tetrahydropyran	345.29
tert-amyl methyl ether	62.47
2,5,8-trioxanonane	134.81
1-hexene	37.49
2-isopropoxyethanol	62.05
2,2,2-trifluoroethanol	36.9
methyl butyrate	147.27

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