Molecular formula
C12H14O

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

Fragrance
Spicy	74.22%
Green	55.55%
Sweet	53.19%
Herbal	53.0%
Cinnamon	50.39%
Woody	40.27%
Aldehydic	39.98%
Warm	39.43%
Balsamic	36.03%
Floral	32.53%

 

Flavor
Green	71.5%
Sweet	59.51%
Spicy	55.76%
Floral	44.63%
Herbal	44.1%
Cinnamon	43.43%
Fresh	42.16%
Spice	41.35%
Oily	39.91%
Bitter	34.46%

 

Odor impact est.
High

XLogP3-AA
2.9

pKa est.
7.23 (neutral)

Molecular weight
174.24 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
279°C

Flash point

• 129.36 ˚C est.

• 2-Propenal, 3-[4-(1-methylethyl)phenyl]-
• p-Isopropylcinnamaldehyde
• DTXSID00884347
• MHGRIUPTPRZPJP-UHFFFAOYSA-N
• 2-Propenal,3-[4-(1-methylethyl)phenyl]-
• DB-015294
• DS-004408

This description covers 2-Propenal, 3-[4-(1-methylethyl)phenyl]-, an aldehyde in fragrance chemistry primarily used as a fragrance intermediate and odorant in perfumery and cosmetics, contributing warm, spicy notes. It may also serve as an aroma ingredient in flavor formulations and in household products such as air fresheners. In industrial manufacturing, it functions as a reactive building block for specialty chemicals and can be explored as an intermediate for polymers, dyes, or other chemical additives. It is sometimes evaluated for use in coatings and inks where controlled odor profiles or fragrance release are desired, subject to formulation limits and local regulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	666.68
methanol	484.74
isopropanol	342.61
water	0.11
ethyl acetate	1313.39
n-propanol	503.67
acetone	799.36
n-butanol	391.65
acetonitrile	668.87
DMF	778.37
toluene	480.46
isobutanol	236.34
1,4-dioxane	1333.77
methyl acetate	830.14
THF	1053.53
2-butanone	913.84
n-pentanol	243.6
sec-butanol	249.15
n-hexane	52.07
ethylene glycol	59.75
NMP	375.96
cyclohexane	54.91
DMSO	495.85
n-butyl acetate	484.15
n-octanol	46.32
chloroform	1329.24
n-propyl acetate	439.48
acetic acid	207.48
dichloromethane	1487.26
cyclohexanone	747.76
propylene glycol	110.98
isopropyl acetate	517.97
DMAc	567.53
2-ethoxyethanol	423.62
isopentanol	267.69
n-heptane	22.39
ethyl formate	277.75
1,2-dichloroethane	1449.89
n-hexanol	288.17
2-methoxyethanol	697.11
isobutyl acetate	231.69
tetrachloromethane	114.66
n-pentyl acetate	136.48
transcutol	1573.11
n-heptanol	64.66
ethylbenzene	161.99
MIBK	314.4
2-propoxyethanol	548.28
tert-butanol	361.19
MTBE	609.47
2-butoxyethanol	157.53
propionic acid	250.27
o-xylene	147.45
formic acid	53.83
diethyl ether	1413.89
m-xylene	215.95
p-xylene	147.87
chlorobenzene	407.43
dimethyl carbonate	207.24
n-octane	7.9
formamide	171.31
cyclopentanone	770.83
2-pentanone	752.27
anisole	375.39
cyclopentyl methyl ether	547.79
gamma-butyrolactone	650.16
1-methoxy-2-propanol	494.3
pyridine	992.92
3-pentanone	617.03
furfural	476.58
n-dodecane	5.6
diethylene glycol	278.8
diisopropyl ether	207.72
tert-amyl alcohol	244.64
acetylacetone	561.81
n-hexadecane	6.74
acetophenone	250.92
methyl propionate	823.05
isopentyl acetate	386.65
trichloroethylene	1844.04
n-nonanol	46.93
cyclohexanol	234.3
benzyl alcohol	220.94
2-ethylhexanol	147.03
isooctanol	55.68
dipropyl ether	321.1
1,2-dichlorobenzene	299.48
ethyl lactate	112.74
propylene carbonate	309.42
n-methylformamide	365.67
2-pentanol	241.93
n-pentane	37.55
1-propoxy-2-propanol	347.65
1-methoxy-2-propyl acetate	505.45
2-(2-methoxypropoxy) propanol	198.57
mesitylene	106.06
ε-caprolactone	552.25
p-cymene	66.47
epichlorohydrin	1311.59
1,1,1-trichloroethane	743.37
2-aminoethanol	190.32
morpholine-4-carbaldehyde	600.57
sulfolane	570.4
2,2,4-trimethylpentane	17.42
2-methyltetrahydrofuran	842.21
n-hexyl acetate	168.0
isooctane	18.05
2-(2-butoxyethoxy)ethanol	274.12
sec-butyl acetate	284.33
tert-butyl acetate	452.81
decalin	32.02
glycerin	116.3
diglyme	606.09
acrylic acid	161.06
isopropyl myristate	75.45
n-butyric acid	404.4
acetyl acetate	349.52
di(2-ethylhexyl) phthalate	65.13
ethyl propionate	419.44
nitromethane	525.71
1,2-diethoxyethane	689.72
benzonitrile	250.01
trioctyl phosphate	40.31
1-bromopropane	773.4
gamma-valerolactone	876.75
n-decanol	37.05
triethyl phosphate	104.79
4-methyl-2-pentanol	120.96
propionitrile	515.51
vinylene carbonate	270.89
1,1,2-trichlorotrifluoroethane	435.18
DMS	234.7
cumene	85.07
2-octanol	37.14
2-hexanone	402.58
octyl acetate	78.81
limonene	100.48
1,2-dimethoxyethane	714.4
ethyl orthosilicate	110.55
tributyl phosphate	63.12
diacetone alcohol	352.34
N,N-dimethylaniline	177.73
acrylonitrile	504.03
aniline	401.33
1,3-propanediol	259.59
bromobenzene	451.74
dibromomethane	1000.63
1,1,2,2-tetrachloroethane	1252.02
2-methyl-cyclohexyl acetate	177.36
tetrabutyl urea	74.39
diisobutyl methanol	86.24
2-phenylethanol	219.83
styrene	241.16
dioctyl adipate	111.9
dimethyl sulfate	220.95
ethyl butyrate	313.3
methyl lactate	150.11
butyl lactate	95.28
diethyl carbonate	191.41
propanediol butyl ether	112.67
triethyl orthoformate	182.48
p-tert-butyltoluene	68.04
methyl 4-tert-butylbenzoate	140.48
morpholine	1657.77
tert-butylamine	235.89
n-dodecanol	30.35
dimethoxymethane	780.1
ethylene carbonate	246.08
cyrene	150.57
2-ethoxyethyl acetate	291.93
2-ethylhexyl acetate	298.51
1,2,4-trichlorobenzene	348.51
4-methylpyridine	811.15
dibutyl ether	156.1
2,6-dimethyl-4-heptanol	86.24
DEF	772.39
dimethyl isosorbide	368.28
tetrachloroethylene	700.39
eugenol	141.06
triacetin	179.42
span 80	128.68
1,4-butanediol	82.06
1,1-dichloroethane	1098.73
2-methyl-1-pentanol	194.78
methyl formate	208.39
2-methyl-1-butanol	235.04
n-decane	9.42
butyronitrile	452.85
3,7-dimethyl-1-octanol	75.13
1-chlorooctane	55.24
1-chlorotetradecane	22.34
n-nonane	8.86
undecane	7.04
tert-butylcyclohexane	31.62
cyclooctane	17.69
cyclopentanol	195.55
tetrahydropyran	1235.96
tert-amyl methyl ether	354.16
2,5,8-trioxanonane	368.68
1-hexene	285.96
2-isopropoxyethanol	265.27
2,2,2-trifluoroethanol	61.31
methyl butyrate	472.58

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