Molecular formula
C10H10O

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

Fragrance
Sweet	91.85%
Spicy	79.29%
Cinnamon	78.98%
Fruity	66.85%
Cherry	65.93%
Balsamic	65.14%
Almond	63.62%
Powdery	53.47%
Bitter	52.01%
Vanilla	47.12%

 

Flavor
Sweet	88.24%
Cherry	65.68%
Cinnamon	62.89%
Almond	50.88%
Spicy	49.53%
Spice	46.29%
Floral	44.29%
Balsam	43.79%
Vanilla	40.51%
Clove	35.83%

 

Odor impact est.
High

XLogP3-AA
2.3

pKa est.
6.92 (neutral)

Molecular weight
146.19 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Slow

Boiling point est.
261°C

Flash point

• 112.4 ˚C est.

• 3-(4-methylphenyl)prop-2-enal
• para-methyl cinnamaldehyde
• DTXSID301009872
• DKOUYOVAEBQFHU-UHFFFAOYSA-N
• (E)-3-(4-Methylphenyl)-2-propenal
• AKOS017405138
• AT40695
• SY103385

3-(4-Methylphenyl)prop-2-enal is used as a fragrance intermediate and aroma component in perfumery and cosmetics, contributing cinnamon-like notes and sometimes serving as a scent fixative; it may be used as a flavor/aroma ingredient in food and beverage applications, subject to regulatory approvals; it functions as a chemical intermediate in the synthesis of other aroma compounds and cinnamaldehyde derivatives in industrial manufacturing; in household products such as cleaners and air fresheners, it provides a pleasant odor profile; it can act as a building block for aroma-related polymers or coatings in specialty materials, depending on formulation requirements and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	429.81
methanol	248.44
isopropanol	241.64
water	0.52
ethyl acetate	938.6
n-propanol	341.48
acetone	637.26
n-butanol	239.64
acetonitrile	619.14
DMF	561.8
toluene	246.96
isobutanol	180.18
1,4-dioxane	892.93
methyl acetate	864.93
THF	624.15
2-butanone	735.26
n-pentanol	163.54
sec-butanol	229.83
n-hexane	21.8
ethylene glycol	105.16
NMP	270.61
cyclohexane	19.54
DMSO	481.76
n-butyl acetate	310.05
n-octanol	61.97
chloroform	914.7
n-propyl acetate	323.69
acetic acid	249.75
dichloromethane	904.53
cyclohexanone	447.66
propylene glycol	177.28
isopropyl acetate	348.77
DMAc	465.86
2-ethoxyethanol	319.48
isopentanol	183.5
n-heptane	20.56
ethyl formate	271.61
1,2-dichloroethane	764.22
n-hexanol	219.03
2-methoxyethanol	502.39
isobutyl acetate	185.56
tetrachloromethane	78.8
n-pentyl acetate	107.62
transcutol	1310.26
n-heptanol	69.28
ethylbenzene	127.93
MIBK	235.74
2-propoxyethanol	371.01
tert-butanol	300.03
MTBE	349.49
2-butoxyethanol	157.29
propionic acid	330.02
o-xylene	117.51
formic acid	86.4
diethyl ether	565.72
m-xylene	143.59
p-xylene	123.18
chlorobenzene	246.58
dimethyl carbonate	223.73
n-octane	8.36
formamide	207.99
cyclopentanone	505.35
2-pentanone	475.33
anisole	323.03
cyclopentyl methyl ether	291.98
gamma-butyrolactone	597.27
1-methoxy-2-propanol	391.84
pyridine	620.03
3-pentanone	400.71
furfural	441.12
n-dodecane	7.46
diethylene glycol	261.09
diisopropyl ether	109.63
tert-amyl alcohol	235.09
acetylacetone	464.76
n-hexadecane	8.51
acetophenone	228.33
methyl propionate	649.16
isopentyl acetate	253.31
trichloroethylene	1229.37
n-nonanol	59.18
cyclohexanol	145.81
benzyl alcohol	187.2
2-ethylhexanol	124.56
isooctanol	63.02
dipropyl ether	198.41
1,2-dichlorobenzene	202.43
ethyl lactate	125.54
propylene carbonate	287.62
n-methylformamide	340.11
2-pentanol	174.95
n-pentane	15.88
1-propoxy-2-propanol	259.91
1-methoxy-2-propyl acetate	340.29
2-(2-methoxypropoxy) propanol	193.47
mesitylene	77.37
ε-caprolactone	376.62
p-cymene	60.83
epichlorohydrin	866.76
1,1,1-trichloroethane	511.52
2-aminoethanol	222.11
morpholine-4-carbaldehyde	451.01
sulfolane	452.16
2,2,4-trimethylpentane	13.49
2-methyltetrahydrofuran	518.44
n-hexyl acetate	159.33
isooctane	14.29
2-(2-butoxyethoxy)ethanol	263.92
sec-butyl acetate	224.27
tert-butyl acetate	308.01
decalin	23.22
glycerin	191.22
diglyme	512.37
acrylic acid	243.73
isopropyl myristate	75.1
n-butyric acid	359.04
acetyl acetate	317.96
di(2-ethylhexyl) phthalate	64.57
ethyl propionate	332.85
nitromethane	633.52
1,2-diethoxyethane	409.44
benzonitrile	205.55
trioctyl phosphate	42.89
1-bromopropane	374.35
gamma-valerolactone	617.06
n-decanol	48.15
triethyl phosphate	91.72
4-methyl-2-pentanol	102.85
propionitrile	438.23
vinylene carbonate	269.64
1,1,2-trichlorotrifluoroethane	393.14
DMS	224.07
cumene	76.48
2-octanol	43.63
2-hexanone	275.58
octyl acetate	84.72
limonene	82.75
1,2-dimethoxyethane	468.09
ethyl orthosilicate	89.01
tributyl phosphate	60.16
diacetone alcohol	311.81
N,N-dimethylaniline	160.67
acrylonitrile	506.0
aniline	262.64
1,3-propanediol	235.51
bromobenzene	266.39
dibromomethane	566.08
1,1,2,2-tetrachloroethane	799.62
2-methyl-cyclohexyl acetate	143.28
tetrabutyl urea	76.48
diisobutyl methanol	79.67
2-phenylethanol	181.57
styrene	177.59
dioctyl adipate	110.9
dimethyl sulfate	256.09
ethyl butyrate	240.36
methyl lactate	177.83
butyl lactate	94.9
diethyl carbonate	160.36
propanediol butyl ether	139.97
triethyl orthoformate	135.34
p-tert-butyltoluene	60.26
methyl 4-tert-butylbenzoate	150.02
morpholine	904.61
tert-butylamine	174.18
n-dodecanol	38.83
dimethoxymethane	457.36
ethylene carbonate	217.03
cyrene	150.82
2-ethoxyethyl acetate	230.04
2-ethylhexyl acetate	195.14
1,2,4-trichlorobenzene	247.67
4-methylpyridine	449.41
dibutyl ether	122.46
2,6-dimethyl-4-heptanol	79.67
DEF	405.36
dimethyl isosorbide	314.97
tetrachloroethylene	437.04
eugenol	157.34
triacetin	197.01
span 80	128.7
1,4-butanediol	89.76
1,1-dichloroethane	664.39
2-methyl-1-pentanol	146.74
methyl formate	247.32
2-methyl-1-butanol	169.12
n-decane	11.34
butyronitrile	311.7
3,7-dimethyl-1-octanol	83.35
1-chlorooctane	54.86
1-chlorotetradecane	24.62
n-nonane	10.91
undecane	8.96
tert-butylcyclohexane	26.77
cyclooctane	9.34
cyclopentanol	145.28
tetrahydropyran	602.83
tert-amyl methyl ether	225.57
2,5,8-trioxanonane	337.46
1-hexene	135.48
2-isopropoxyethanol	233.7
2,2,2-trifluoroethanol	100.0
methyl butyrate	356.72

Scent© AI