Molecular formula
C12H12

SMILES
CC#C/C=C/CC1=CC=CC=C1

Fragrance
Green	60.55%
Sweet	49.99%
Floral	46.46%
Spicy	45.85%
Herbal	35.2%
Cinnamon	32.51%
Balsamic	31.34%
Leafy	30.89%
Metallic	29.17%
Fresh	28.44%

 

Flavor
Balsam	24.02%
Nitrile	22.96%
Oriental	21.72%
Low	19.18%
Styrene	19.17%
Diterpene	19.11%
Gooseberry	19.08%
Cinnamon	19.08%
Red hots	18.75%
Creosote	18.62%

 

Odor impact est.
High

XLogP3-AA
3.6

pKa est.
6.87 (neutral)

Molecular weight
156.22 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
245°C

Flash point

• 110.02 ˚C est.

[(E)-hex-2-en-4-ynyl]benzene is primarily used as an organic synthesis intermediate and building block for functional materials. In industrial manufacturing, it often serves as a precursor to conjugated aryl-alkynyl compounds that enable further functionalization in chemical production. In polymer and plastics chemistry, it can be used as a monomer or comonomer fragment to design conjugated or optically active polymers. In electronics, it is being explored as a π-conjugated linker for organic semiconductors and related optoelectronic materials. In coatings and inks, it can serve as a reactive aryl-alkynyl component for UV-curable formulations or specialty inks. Other applications depend on formulation needs and regulatory constraints, and it is commonly evaluated in R&D and process development contexts.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	350.54
methanol	346.91
isopropanol	196.45
water	0.12
ethyl acetate	1276.05
n-propanol	301.91
acetone	1096.11
n-butanol	294.95
acetonitrile	749.31
DMF	745.57
toluene	672.83
isobutanol	193.45
1,4-dioxane	1888.66
methyl acetate	930.6
THF	1362.71
2-butanone	911.82
n-pentanol	266.82
sec-butanol	227.85
n-hexane	287.05
ethylene glycol	95.19
NMP	582.24
cyclohexane	315.17
DMSO	1212.43
n-butyl acetate	868.28
n-octanol	123.16
chloroform	1993.93
n-propyl acetate	641.78
acetic acid	373.58
dichloromethane	2092.5
cyclohexanone	970.15
propylene glycol	129.16
isopropyl acetate	603.31
DMAc	704.94
2-ethoxyethanol	451.76
isopentanol	253.01
n-heptane	168.32
ethyl formate	345.25
1,2-dichloroethane	1715.99
n-hexanol	367.37
2-methoxyethanol	606.2
isobutyl acetate	411.64
tetrachloromethane	314.0
n-pentyl acetate	298.72
transcutol	2447.67
n-heptanol	117.43
ethylbenzene	288.4
MIBK	453.77
2-propoxyethanol	618.8
tert-butanol	305.59
MTBE	680.76
2-butoxyethanol	244.06
propionic acid	330.81
o-xylene	247.34
formic acid	101.2
diethyl ether	1530.47
m-xylene	295.23
p-xylene	280.83
chlorobenzene	627.88
dimethyl carbonate	391.53
n-octane	47.34
formamide	194.47
cyclopentanone	947.66
2-pentanone	779.74
anisole	644.02
cyclopentyl methyl ether	818.52
gamma-butyrolactone	879.46
1-methoxy-2-propanol	429.84
pyridine	1314.09
3-pentanone	807.52
furfural	798.67
n-dodecane	30.73
diethylene glycol	378.62
diisopropyl ether	384.5
tert-amyl alcohol	282.06
acetylacetone	986.48
n-hexadecane	36.65
acetophenone	448.61
methyl propionate	822.96
isopentyl acetate	640.67
trichloroethylene	2337.96
n-nonanol	122.61
cyclohexanol	274.6
benzyl alcohol	268.78
2-ethylhexanol	295.68
isooctanol	110.91
dipropyl ether	822.28
1,2-dichlorobenzene	532.38
ethyl lactate	195.72
propylene carbonate	485.57
n-methylformamide	319.12
2-pentanol	228.05
n-pentane	157.51
1-propoxy-2-propanol	472.85
1-methoxy-2-propyl acetate	682.0
2-(2-methoxypropoxy) propanol	395.93
mesitylene	195.79
ε-caprolactone	735.12
p-cymene	152.59
epichlorohydrin	1356.75
1,1,1-trichloroethane	1281.46
2-aminoethanol	155.12
morpholine-4-carbaldehyde	912.28
sulfolane	987.49
2,2,4-trimethylpentane	72.89
2-methyltetrahydrofuran	1031.58
n-hexyl acetate	414.21
isooctane	65.0
2-(2-butoxyethoxy)ethanol	491.96
sec-butyl acetate	458.82
tert-butyl acetate	661.01
decalin	142.26
glycerin	180.14
diglyme	1115.67
acrylic acid	294.36
isopropyl myristate	204.44
n-butyric acid	454.48
acetyl acetate	719.83
di(2-ethylhexyl) phthalate	154.96
ethyl propionate	625.39
nitromethane	1038.87
1,2-diethoxyethane	1261.37
benzonitrile	373.27
trioctyl phosphate	104.36
1-bromopropane	988.62
gamma-valerolactone	1104.09
n-decanol	100.66
triethyl phosphate	247.09
4-methyl-2-pentanol	158.97
propionitrile	551.79
vinylene carbonate	486.12
1,1,2-trichlorotrifluoroethane	820.8
DMS	545.56
cumene	166.93
2-octanol	78.22
2-hexanone	603.79
octyl acetate	215.96
limonene	256.8
1,2-dimethoxyethane	1007.98
ethyl orthosilicate	256.3
tributyl phosphate	162.14
diacetone alcohol	435.41
N,N-dimethylaniline	346.76
acrylonitrile	582.77
aniline	425.94
1,3-propanediol	215.3
bromobenzene	791.18
dibromomethane	1448.74
1,1,2,2-tetrachloroethane	1817.83
2-methyl-cyclohexyl acetate	379.22
tetrabutyl urea	198.3
diisobutyl methanol	189.77
2-phenylethanol	312.25
styrene	443.57
dioctyl adipate	285.75
dimethyl sulfate	546.35
ethyl butyrate	655.56
methyl lactate	226.14
butyl lactate	191.2
diethyl carbonate	414.7
propanediol butyl ether	207.75
triethyl orthoformate	420.64
p-tert-butyltoluene	146.62
methyl 4-tert-butylbenzoate	299.4
morpholine	1482.26
tert-butylamine	244.05
n-dodecanol	88.94
dimethoxymethane	848.52
ethylene carbonate	429.77
cyrene	287.44
2-ethoxyethyl acetate	550.79
2-ethylhexyl acetate	566.37
1,2,4-trichlorobenzene	630.9
4-methylpyridine	920.89
dibutyl ether	481.65
2,6-dimethyl-4-heptanol	189.77
DEF	807.32
dimethyl isosorbide	659.12
tetrachloroethylene	1148.28
eugenol	294.88
triacetin	476.55
span 80	292.62
1,4-butanediol	97.5
1,1-dichloroethane	1133.23
2-methyl-1-pentanol	262.65
methyl formate	277.89
2-methyl-1-butanol	243.0
n-decane	51.21
butyronitrile	484.38
3,7-dimethyl-1-octanol	187.94
1-chlorooctane	181.75
1-chlorotetradecane	83.89
n-nonane	56.34
undecane	37.77
tert-butylcyclohexane	122.58
cyclooctane	132.44
cyclopentanol	205.19
tetrahydropyran	1455.72
tert-amyl methyl ether	523.74
2,5,8-trioxanonane	753.4
1-hexene	603.89
2-isopropoxyethanol	342.19
2,2,2-trifluoroethanol	116.13
methyl butyrate	658.28

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