CAS number
4360-47-8

Molecular formula
C9H7N

SMILES
C1=CC=C(C=C1)C=CC#N

Fragrance
Spicy	73.43%
Cinnamon	53.34%
Floral	34.11%
Sweet	33.86%
Balsamic	29.7%
Bitter	29.64%
Pungent	27.61%
Warm	26.89%
Almond	26.79%
Cherry	22.89%

 

Flavor
Bitter	33.47%
Cinnamon	31.47%
Nitrile	25.69%
Balsam	23.52%
Oriental	20.5%
Red hots	20.14%
Almond shell	19.75%
Deep	19.53%
Cassia	18.92%
Styrene	18.89%

 

Odor impact est.
Medium

XLogP3-AA
2.0

pKa est.
5.79 (weak acid)

Molecular weight
129.16 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
243°C

Flash point

• 111.14 ˚C est.

• 3-phenylprop-2-enenitrile
• 4360-47-8
• 2-Propenenitrile, 3-phenyl-
• cyanostyrene
• MFCD00001930
• (E/Z)-cinnamonitrile
• 3-phenyl-acrylonitrile
• DTXSID2052100
• STR01107
• AKOS025243639
• AS-82866
• SY014969
• DB-029587
• Q204185

3-Phenylprop-2-enenitrile (CAS 4360-47-8) is primarily used as a monomer or comonomer to prepare aryl-substituted polymers and specialty plastics; it serves as an intermediate in organic synthesis for dyes, pigments, and functional materials; it is used in coatings and inks, particularly UV-curable formulations, to impart polarity and rigidity; it is evaluated for use in high-temperature polymers and liquid crystal polymers for electronics and optoelectronic applications; and it is used in adhesives where the nitrile/aryl functionality promotes adhesion and crosslinking.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	395.87
methanol	485.04
isopropanol	204.31
water	2.04
ethyl acetate	1978.28
n-propanol	293.87
acetone	4893.73
n-butanol	154.51
acetonitrile	2199.57
DMF	4723.44
toluene	671.29
isobutanol	160.3
1,4-dioxane	2606.13
methyl acetate	2619.33
THF	3072.26
2-butanone	2643.42
n-pentanol	140.48
sec-butanol	183.34
n-hexane	32.97
ethylene glycol	260.97
NMP	4852.63
cyclohexane	71.82
DMSO	8202.78
n-butyl acetate	746.33
n-octanol	92.77
chloroform	2443.22
n-propyl acetate	903.71
acetic acid	1071.93
dichloromethane	3499.16
cyclohexanone	2511.97
propylene glycol	211.52
isopropyl acetate	700.73
DMAc	3078.31
2-ethoxyethanol	492.01
isopentanol	118.77
n-heptane	30.02
ethyl formate	892.68
1,2-dichloroethane	3194.97
n-hexanol	166.21
2-methoxyethanol	950.58
isobutyl acetate	349.55
tetrachloromethane	306.78
n-pentyl acetate	333.66
transcutol	2733.45
n-heptanol	71.89
ethylbenzene	248.6
MIBK	443.53
2-propoxyethanol	490.91
tert-butanol	203.34
MTBE	429.47
2-butoxyethanol	242.02
propionic acid	875.7
o-xylene	281.81
formic acid	496.05
diethyl ether	723.59
m-xylene	255.11
p-xylene	301.38
chlorobenzene	1286.77
dimethyl carbonate	1236.52
n-octane	8.96
formamide	1721.55
cyclopentanone	4831.05
2-pentanone	1365.05
anisole	937.64
cyclopentyl methyl ether	1102.54
gamma-butyrolactone	5552.7
1-methoxy-2-propanol	556.6
pyridine	3170.93
3-pentanone	1438.95
furfural	3421.23
n-dodecane	6.94
diethylene glycol	432.36
diisopropyl ether	168.2
tert-amyl alcohol	176.93
acetylacetone	2594.9
n-hexadecane	8.59
acetophenone	899.75
methyl propionate	1892.03
isopentyl acetate	484.97
trichloroethylene	5947.38
n-nonanol	75.78
cyclohexanol	237.71
benzyl alcohol	400.28
2-ethylhexanol	113.8
isooctanol	58.41
dipropyl ether	322.78
1,2-dichlorobenzene	995.69
ethyl lactate	261.98
propylene carbonate	1825.5
n-methylformamide	2391.38
2-pentanol	110.54
n-pentane	21.02
1-propoxy-2-propanol	332.11
1-methoxy-2-propyl acetate	851.74
2-(2-methoxypropoxy) propanol	315.86
mesitylene	133.66
ε-caprolactone	1703.15
p-cymene	105.63
epichlorohydrin	4686.15
1,1,1-trichloroethane	1753.99
2-aminoethanol	284.02
morpholine-4-carbaldehyde	3235.13
sulfolane	5932.57
2,2,4-trimethylpentane	13.03
2-methyltetrahydrofuran	2037.0
n-hexyl acetate	515.13
isooctane	9.45
2-(2-butoxyethoxy)ethanol	444.54
sec-butyl acetate	444.63
tert-butyl acetate	617.81
decalin	38.91
glycerin	328.22
diglyme	1350.98
acrylic acid	1094.56
isopropyl myristate	144.51
n-butyric acid	564.08
acetyl acetate	1465.32
di(2-ethylhexyl) phthalate	121.99
ethyl propionate	821.21
nitromethane	6699.12
1,2-diethoxyethane	787.33
benzonitrile	845.18
trioctyl phosphate	80.54
1-bromopropane	699.0
gamma-valerolactone	4158.6
n-decanol	55.17
triethyl phosphate	201.13
4-methyl-2-pentanol	59.8
propionitrile	821.75
vinylene carbonate	1547.13
1,1,2-trichlorotrifluoroethane	1997.3
DMS	1138.66
cumene	112.53
2-octanol	49.23
2-hexanone	840.91
octyl acetate	189.79
limonene	161.2
1,2-dimethoxyethane	1301.11
ethyl orthosilicate	167.55
tributyl phosphate	126.06
diacetone alcohol	533.08
N,N-dimethylaniline	379.27
acrylonitrile	1574.87
aniline	748.59
1,3-propanediol	294.64
bromobenzene	1444.34
dibromomethane	1698.14
1,1,2,2-tetrachloroethane	3254.04
2-methyl-cyclohexyl acetate	295.95
tetrabutyl urea	194.55
diisobutyl methanol	66.13
2-phenylethanol	310.13
styrene	458.57
dioctyl adipate	254.63
dimethyl sulfate	2460.32
ethyl butyrate	538.03
methyl lactate	574.56
butyl lactate	238.14
diethyl carbonate	366.86
propanediol butyl ether	283.74
triethyl orthoformate	299.74
p-tert-butyltoluene	95.08
methyl 4-tert-butylbenzoate	331.66
morpholine	2481.61
tert-butylamine	110.02
n-dodecanol	41.91
dimethoxymethane	1723.14
ethylene carbonate	1152.18
cyrene	398.86
2-ethoxyethyl acetate	803.3
2-ethylhexyl acetate	416.7
1,2,4-trichlorobenzene	1295.6
4-methylpyridine	2118.86
dibutyl ether	245.47
2,6-dimethyl-4-heptanol	66.13
DEF	1654.47
dimethyl isosorbide	725.02
tetrachloroethylene	1961.82
eugenol	310.83
triacetin	770.84
span 80	225.14
1,4-butanediol	132.91
1,1-dichloroethane	1874.55
2-methyl-1-pentanol	115.06
methyl formate	2096.96
2-methyl-1-butanol	125.78
n-decane	12.42
butyronitrile	439.43
3,7-dimethyl-1-octanol	99.16
1-chlorooctane	98.92
1-chlorotetradecane	33.43
n-nonane	12.45
undecane	9.03
tert-butylcyclohexane	26.37
cyclooctane	22.04
cyclopentanol	445.41
tetrahydropyran	1555.16
tert-amyl methyl ether	294.12
2,5,8-trioxanonane	714.84
1-hexene	136.93
2-isopropoxyethanol	313.99
2,2,2-trifluoroethanol	555.94
methyl butyrate	1007.61

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