Molecular formula
C10H10O

SMILES
CC(=O)C=CC1=CC=CC=C1

Fragrance
Sweet	92.56%
Balsamic	78.81%
Floral	75.18%
Spicy	68.98%
Cinnamon	66.7%
Fruity	65.83%
Powdery	62.98%
Cherry	56.66%
Vanilla	56.64%
Coumarinic	48.48%

 

Flavor
Sweet	93.36%
Floral	68.14%
Cinnamon	62.86%
Cherry	61.06%
Balsam	58.51%
Almond	49.8%
Honey	48.51%
Vanilla	48.38%
Spice	46.72%
Anise	43.38%

 

Odor impact est.
High

XLogP3-AA
2.1

pKa est.
7.55 (neutral)

Molecular weight
146.19 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
243°C

Flash point

• 102.48 ˚C est.

• 4-Phenyl-but-3-en-2-one
• benzalacetone-d4
• DTXSID4025662
• acetylstyrol
• trans-Benzylideneacetone;Benzalacetone
• BENZAL ACETONE
• 1-Phenylbut-1-en-3-one
• 4-phenyl-3 -buten-2-one
• CHEMBL3187978
• SCHEMBL11470573
• Trans-4-Phenyl-3-buten-2-one?
• AKOS025243640
• NCI60_004369
• NS00075571
• Q27225700
• 4-Phenyl-3-butene-2-one 100 microg/mL in Acetonitrile

4-Phenyl-3-buten-2-one is primarily used as an organic synthesis intermediate, serving as a building block for aryl enones and chalcone derivatives. It is also evaluated as a precursor in the fragrance and flavor industries to develop aroma-active compounds. In medicinal chemistry, the compound can function as a starting material for the synthesis of aryl enone motifs relevant to drug programs. Additionally, it may act as a feedstock for polymer and coating systems, or other materials applications where conjugated enone functionality is leveraged, subject to formulation constraints and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	388.99
methanol	342.47
isopropanol	252.45
water	1.2
ethyl acetate	473.47
n-propanol	290.38
acetone	666.97
n-butanol	226.88
acetonitrile	546.84
DMF	773.32
toluene	161.77
isobutanol	181.36
1,4-dioxane	726.95
methyl acetate	563.82
THF	528.39
2-butanone	542.84
n-pentanol	169.34
sec-butanol	235.14
n-hexane	42.46
ethylene glycol	159.79
NMP	482.14
cyclohexane	32.69
DMSO	835.55
n-butyl acetate	205.29
n-octanol	103.56
chloroform	1035.61
n-propyl acetate	215.39
acetic acid	284.68
dichloromethane	835.94
cyclohexanone	409.19
propylene glycol	251.56
isopropyl acetate	189.63
DMAc	714.17
2-ethoxyethanol	265.44
isopentanol	179.99
n-heptane	27.06
ethyl formate	217.76
1,2-dichloroethane	483.2
n-hexanol	190.42
2-methoxyethanol	454.5
isobutyl acetate	136.93
tetrachloromethane	93.29
n-pentyl acetate	108.14
transcutol	1188.28
n-heptanol	80.98
ethylbenzene	124.93
MIBK	165.48
2-propoxyethanol	305.9
tert-butanol	278.17
MTBE	246.88
2-butoxyethanol	167.02
propionic acid	327.34
o-xylene	109.24
formic acid	98.5
diethyl ether	335.09
m-xylene	102.22
p-xylene	131.16
chlorobenzene	207.07
dimethyl carbonate	194.31
n-octane	11.58
formamide	199.64
cyclopentanone	504.21
2-pentanone	326.82
anisole	297.01
cyclopentyl methyl ether	235.39
gamma-butyrolactone	561.65
1-methoxy-2-propanol	347.19
pyridine	506.79
3-pentanone	293.57
furfural	433.88
n-dodecane	11.24
diethylene glycol	265.2
diisopropyl ether	78.26
tert-amyl alcohol	234.39
acetylacetone	356.21
n-hexadecane	12.66
acetophenone	229.04
methyl propionate	396.64
isopentyl acetate	169.47
trichloroethylene	914.33
n-nonanol	89.65
cyclohexanol	154.73
benzyl alcohol	185.85
2-ethylhexanol	121.57
isooctanol	70.29
dipropyl ether	160.62
1,2-dichlorobenzene	189.39
ethyl lactate	120.5
propylene carbonate	295.77
n-methylformamide	343.87
2-pentanol	156.7
n-pentane	23.19
1-propoxy-2-propanol	222.6
1-methoxy-2-propyl acetate	224.42
2-(2-methoxypropoxy) propanol	221.52
mesitylene	62.39
ε-caprolactone	313.71
p-cymene	62.13
epichlorohydrin	616.03
1,1,1-trichloroethane	410.82
2-aminoethanol	251.58
morpholine-4-carbaldehyde	533.02
sulfolane	568.88
2,2,4-trimethylpentane	16.35
2-methyltetrahydrofuran	383.74
n-hexyl acetate	196.12
isooctane	11.96
2-(2-butoxyethoxy)ethanol	292.56
sec-butyl acetate	147.74
tert-butyl acetate	189.41
decalin	33.67
glycerin	254.2
diglyme	517.98
acrylic acid	281.61
isopropyl myristate	83.64
n-butyric acid	285.81
acetyl acetate	241.32
di(2-ethylhexyl) phthalate	78.16
ethyl propionate	220.52
nitromethane	616.07
1,2-diethoxyethane	305.8
benzonitrile	210.88
trioctyl phosphate	55.71
1-bromopropane	274.37
gamma-valerolactone	552.56
n-decanol	70.32
triethyl phosphate	91.79
4-methyl-2-pentanol	92.29
propionitrile	341.92
vinylene carbonate	282.15
1,1,2-trichlorotrifluoroethane	394.47
DMS	240.09
cumene	81.7
2-octanol	56.63
2-hexanone	230.96
octyl acetate	102.71
limonene	84.71
1,2-dimethoxyethane	459.94
ethyl orthosilicate	87.17
tributyl phosphate	74.43
diacetone alcohol	254.75
N,N-dimethylaniline	181.61
acrylonitrile	422.48
aniline	213.59
1,3-propanediol	226.71
bromobenzene	216.81
dibromomethane	537.55
1,1,2,2-tetrachloroethane	696.01
2-methyl-cyclohexyl acetate	129.96
tetrabutyl urea	98.4
diisobutyl methanol	75.1
2-phenylethanol	155.21
styrene	161.55
dioctyl adipate	125.15
dimethyl sulfate	294.57
ethyl butyrate	167.33
methyl lactate	188.58
butyl lactate	109.11
diethyl carbonate	135.77
propanediol butyl ether	198.81
triethyl orthoformate	113.1
p-tert-butyltoluene	59.6
methyl 4-tert-butylbenzoate	169.49
morpholine	665.73
tert-butylamine	171.63
n-dodecanol	55.26
dimethoxymethane	378.33
ethylene carbonate	215.25
cyrene	172.54
2-ethoxyethyl acetate	202.44
2-ethylhexyl acetate	135.35
1,2,4-trichlorobenzene	241.63
4-methylpyridine	379.49
dibutyl ether	148.13
2,6-dimethyl-4-heptanol	75.1
DEF	357.07
dimethyl isosorbide	292.6
tetrachloroethylene	387.24
eugenol	169.5
triacetin	242.63
span 80	171.05
1,4-butanediol	107.92
1,1-dichloroethane	505.07
2-methyl-1-pentanol	157.19
methyl formate	269.35
2-methyl-1-butanol	178.61
n-decane	17.79
butyronitrile	257.96
3,7-dimethyl-1-octanol	107.27
1-chlorooctane	76.67
1-chlorotetradecane	32.48
n-nonane	17.65
undecane	13.74
tert-butylcyclohexane	34.77
cyclooctane	13.07
cyclopentanol	167.15
tetrahydropyran	430.67
tert-amyl methyl ether	189.26
2,5,8-trioxanonane	365.95
1-hexene	153.73
2-isopropoxyethanol	200.76
2,2,2-trifluoroethanol	115.76
methyl butyrate	265.12

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