Molecular formula
C14H20O

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

Fragrance
Green	84.53%
Herbal	56.25%
Fresh	46.94%
Woody	46.14%
Leafy	43.22%
Floral	42.47%
Spicy	40.74%
Aldehydic	40.55%
Cortex	37.68%
Earthy	36.48%

 

Flavor
Herbal	59.33%
Green	52.59%
Woody	46.59%
Spicy	43.48%
Spice	33.47%
Fresh	32.99%
Floral	31.95%
Citrus	28.62%
Herb	27.09%
Oily	27.06%

 

Odor impact est.
High

XLogP3-AA
3.6

pKa est.
7.55 (neutral)

Molecular weight
204.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Very slow

Boiling point est.
281°C

Flash point

• 124.03 ˚C est.

2-[2,4-di(propan-2-yl)phenyl]acetaldehyde is primarily used as an organic-synthesis intermediate. In fragrance chemistry, it serves as a building block for aroma compounds and can function as an odorant or fragrance-ingredient precursor. In cosmetics and personal care, as well as in household products, it can be considered a fragrance ingredient or intermediate. In the field of coatings, paints and industrial adhesives, it may act as a reactive aldehyde for crosslinking or resin functionalization. In pharmaceutical research and development, it is used as a synthetic building block for medicinal chemistry. In dyes and other specialty chemicals, it can serve as a precursor in dye synthesis and related applications. Subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	947.64
methanol	580.01
isopropanol	732.88
water	0.11
ethyl acetate	1286.39
n-propanol	909.29
acetone	1915.56
n-butanol	759.69
acetonitrile	1339.5
DMF	1959.55
toluene	832.45
isobutanol	575.05
1,4-dioxane	2287.47
methyl acetate	1235.73
THF	3232.62
2-butanone	1559.16
n-pentanol	422.75
sec-butanol	554.86
n-hexane	155.49
ethylene glycol	54.38
NMP	1391.51
cyclohexane	287.1
DMSO	851.3
n-butyl acetate	1095.37
n-octanol	190.44
chloroform	3133.23
n-propyl acetate	661.77
acetic acid	357.22
dichloromethane	3635.67
cyclohexanone	2319.69
propylene glycol	129.58
isopropyl acetate	621.35
DMAc	943.1
2-ethoxyethanol	403.14
isopentanol	496.86
n-heptane	105.29
ethyl formate	839.3
1,2-dichloroethane	2438.88
n-hexanol	703.35
2-methoxyethanol	745.23
isobutyl acetate	403.28
tetrachloromethane	462.14
n-pentyl acetate	385.95
transcutol	870.6
n-heptanol	208.27
ethylbenzene	394.88
MIBK	513.08
2-propoxyethanol	800.64
tert-butanol	657.06
MTBE	880.56
2-butoxyethanol	317.12
propionic acid	467.4
o-xylene	392.03
formic acid	52.67
diethyl ether	1279.64
m-xylene	466.83
p-xylene	461.52
chlorobenzene	958.43
dimethyl carbonate	281.24
n-octane	44.17
formamide	151.72
cyclopentanone	2640.53
2-pentanone	1215.73
anisole	607.5
cyclopentyl methyl ether	1225.54
gamma-butyrolactone	2291.02
1-methoxy-2-propanol	590.53
pyridine	1810.46
3-pentanone	896.27
furfural	1168.41
n-dodecane	27.9
diethylene glycol	304.07
diisopropyl ether	248.66
tert-amyl alcohol	474.56
acetylacetone	947.16
n-hexadecane	33.9
acetophenone	484.39
methyl propionate	943.59
isopentyl acetate	757.12
trichloroethylene	3564.42
n-nonanol	171.06
cyclohexanol	687.75
benzyl alcohol	415.77
2-ethylhexanol	342.2
isooctanol	164.73
dipropyl ether	646.36
1,2-dichlorobenzene	681.86
ethyl lactate	192.67
propylene carbonate	1043.35
n-methylformamide	754.47
2-pentanol	426.83
n-pentane	128.25
1-propoxy-2-propanol	552.05
1-methoxy-2-propyl acetate	659.61
2-(2-methoxypropoxy) propanol	243.65
mesitylene	246.46
ε-caprolactone	1511.66
p-cymene	212.25
epichlorohydrin	2522.54
1,1,1-trichloroethane	1751.12
2-aminoethanol	181.52
morpholine-4-carbaldehyde	1238.42
sulfolane	1605.93
2,2,4-trimethylpentane	44.69
2-methyltetrahydrofuran	2112.79
n-hexyl acetate	517.11
isooctane	38.45
2-(2-butoxyethoxy)ethanol	349.55
sec-butyl acetate	388.49
tert-butyl acetate	532.55
decalin	103.37
glycerin	109.68
diglyme	767.4
acrylic acid	310.3
isopropyl myristate	195.82
n-butyric acid	773.45
acetyl acetate	504.82
di(2-ethylhexyl) phthalate	160.96
ethyl propionate	545.14
nitromethane	936.11
1,2-diethoxyethane	656.82
benzonitrile	670.43
trioctyl phosphate	126.47
1-bromopropane	1408.9
gamma-valerolactone	2351.76
n-decanol	132.14
triethyl phosphate	192.53
4-methyl-2-pentanol	194.91
propionitrile	1060.45
vinylene carbonate	805.41
1,1,2-trichlorotrifluoroethane	753.85
DMS	389.53
cumene	220.14
2-octanol	153.74
2-hexanone	716.25
octyl acetate	252.88
limonene	333.04
1,2-dimethoxyethane	1103.28
ethyl orthosilicate	189.01
tributyl phosphate	151.93
diacetone alcohol	492.79
N,N-dimethylaniline	335.27
acrylonitrile	1046.24
aniline	722.92
1,3-propanediol	318.31
bromobenzene	1017.83
dibromomethane	2347.14
1,1,2,2-tetrachloroethane	2316.92
2-methyl-cyclohexyl acetate	384.87
tetrabutyl urea	202.94
diisobutyl methanol	176.25
2-phenylethanol	446.32
styrene	488.53
dioctyl adipate	260.5
dimethyl sulfate	362.06
ethyl butyrate	604.49
methyl lactate	222.81
butyl lactate	245.03
diethyl carbonate	350.21
propanediol butyl ether	229.12
triethyl orthoformate	327.88
p-tert-butyltoluene	201.51
methyl 4-tert-butylbenzoate	324.3
morpholine	2470.19
tert-butylamine	459.79
n-dodecanol	102.95
dimethoxymethane	1061.64
ethylene carbonate	785.18
cyrene	312.87
2-ethoxyethyl acetate	490.11
2-ethylhexyl acetate	597.82
1,2,4-trichlorobenzene	726.75
4-methylpyridine	1785.81
dibutyl ether	358.34
2,6-dimethyl-4-heptanol	176.25
DEF	1165.88
dimethyl isosorbide	586.8
tetrachloroethylene	1332.97
eugenol	279.19
triacetin	337.75
span 80	256.99
1,4-butanediol	121.85
1,1-dichloroethane	2266.33
2-methyl-1-pentanol	337.72
methyl formate	613.32
2-methyl-1-butanol	488.55
n-decane	52.19
butyronitrile	1144.4
3,7-dimethyl-1-octanol	182.15
1-chlorooctane	225.12
1-chlorotetradecane	84.75
n-nonane	54.21
undecane	36.84
tert-butylcyclohexane	89.53
cyclooctane	80.49
cyclopentanol	747.73
tetrahydropyran	2685.9
tert-amyl methyl ether	494.96
2,5,8-trioxanonane	443.0
1-hexene	568.16
2-isopropoxyethanol	306.24
2,2,2-trifluoroethanol	111.74
methyl butyrate	816.43

Scent© AI