Molecular formula
C15H20O

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

Fragrance
Green	76.03%
Herbal	74.42%
Spicy	56.48%
Woody	51.93%
Fresh	38.17%
Leafy	36.63%
Mint	34.27%
Earthy	30.94%
Floral	30.75%
Cortex	30.55%

 

Flavor
Herbal	46.9%
Green	42.31%
Bitter	32.57%
Spicy	30.16%
Woody	26.83%
Herb	25.86%
Citrus	24.66%
Floral	23.69%
Fresh	23.2%
Spice	21.93%

 

Odor impact est.
Medium

XLogP3-AA
4.1

pKa est.
8.23 (weak base)

Molecular weight
216.32 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
300°C

Flash point

• 133.6 ˚C est.

• AKOS017551132

3-Methyl-2-[(4-propan-2-ylphenyl)methylidene]butanal is primarily used as an organic synthesis intermediate for aromatic aldehyde–based fragrance compounds. In perfumery and cosmetics, it serves as a building block to develop fragrance derivatives and can be converted into additional fragrance ingredients for personal care products. It may also act as a precursor for dye- and pigment-related components used in coatings and inks, or as part of synthetic routes to pharmaceutical and agrochemical intermediates in industrial research. In materials science, it can function as a building block for specialty polymers or functionalized derivatives for advanced materials. Its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	722.45
methanol	309.67
isopropanol	639.45
water	0.15
ethyl acetate	1673.2
n-propanol	685.9
acetone	1747.89
n-butanol	638.81
acetonitrile	1042.58
DMF	1849.81
toluene	671.17
isobutanol	497.29
1,4-dioxane	1703.19
methyl acetate	1379.33
THF	1857.88
2-butanone	1748.58
n-pentanol	399.54
sec-butanol	570.36
n-hexane	208.85
ethylene glycol	31.99
NMP	981.39
cyclohexane	195.68
DMSO	532.12
n-butyl acetate	1054.29
n-octanol	155.45
chloroform	2408.63
n-propyl acetate	794.84
acetic acid	305.6
dichloromethane	2441.93
cyclohexanone	1760.96
propylene glycol	97.97
isopropyl acetate	843.46
DMAc	1268.4
2-ethoxyethanol	447.88
isopentanol	504.25
n-heptane	80.89
ethyl formate	544.1
1,2-dichloroethane	1992.32
n-hexanol	537.85
2-methoxyethanol	717.94
isobutyl acetate	469.54
tetrachloromethane	280.21
n-pentyl acetate	385.47
transcutol	1506.66
n-heptanol	185.45
ethylbenzene	354.39
MIBK	624.15
2-propoxyethanol	751.55
tert-butanol	729.28
MTBE	1152.47
2-butoxyethanol	314.38
propionic acid	384.83
o-xylene	340.53
formic acid	41.22
diethyl ether	1693.9
m-xylene	424.93
p-xylene	418.77
chlorobenzene	768.62
dimethyl carbonate	308.11
n-octane	42.34
formamide	145.19
cyclopentanone	1811.68
2-pentanone	1436.85
anisole	632.71
cyclopentyl methyl ether	996.38
gamma-butyrolactone	1422.45
1-methoxy-2-propanol	658.33
pyridine	1406.16
3-pentanone	1155.39
furfural	894.26
n-dodecane	23.39
diethylene glycol	271.13
diisopropyl ether	376.73
tert-amyl alcohol	535.96
acetylacetone	1018.68
n-hexadecane	27.95
acetophenone	524.97
methyl propionate	1114.79
isopentyl acetate	825.09
trichloroethylene	2954.93
n-nonanol	152.92
cyclohexanol	551.9
benzyl alcohol	375.37
2-ethylhexanol	324.29
isooctanol	167.05
dipropyl ether	619.52
1,2-dichlorobenzene	625.52
ethyl lactate	211.43
propylene carbonate	715.02
n-methylformamide	535.14
2-pentanol	504.19
n-pentane	129.82
1-propoxy-2-propanol	612.74
1-methoxy-2-propyl acetate	753.64
2-(2-methoxypropoxy) propanol	309.82
mesitylene	239.18
ε-caprolactone	1211.52
p-cymene	166.95
epichlorohydrin	1979.0
1,1,1-trichloroethane	1613.1
2-aminoethanol	134.52
morpholine-4-carbaldehyde	1012.31
sulfolane	1059.33
2,2,4-trimethylpentane	48.75
2-methyltetrahydrofuran	1499.92
n-hexyl acetate	492.77
isooctane	46.97
2-(2-butoxyethoxy)ethanol	433.72
sec-butyl acetate	550.97
tert-butyl acetate	735.21
decalin	101.22
glycerin	93.79
diglyme	899.43
acrylic acid	238.3
isopropyl myristate	198.61
n-butyric acid	704.71
acetyl acetate	550.85
di(2-ethylhexyl) phthalate	136.86
ethyl propionate	704.54
nitromethane	818.94
1,2-diethoxyethane	964.74
benzonitrile	528.72
trioctyl phosphate	98.75
1-bromopropane	1271.88
gamma-valerolactone	1735.72
n-decanol	118.85
triethyl phosphate	205.08
4-methyl-2-pentanol	258.39
propionitrile	871.49
vinylene carbonate	602.69
1,1,2-trichlorotrifluoroethane	661.4
DMS	434.04
cumene	216.54
2-octanol	141.23
2-hexanone	798.95
octyl acetate	238.84
limonene	256.64
1,2-dimethoxyethane	1110.74
ethyl orthosilicate	207.62
tributyl phosphate	143.51
diacetone alcohol	593.51
N,N-dimethylaniline	355.76
acrylonitrile	829.04
aniline	593.05
1,3-propanediol	273.48
bromobenzene	841.96
dibromomethane	1674.46
1,1,2,2-tetrachloroethane	2193.0
2-methyl-cyclohexyl acetate	379.83
tetrabutyl urea	181.06
diisobutyl methanol	187.98
2-phenylethanol	382.71
styrene	439.15
dioctyl adipate	249.38
dimethyl sulfate	361.72
ethyl butyrate	634.21
methyl lactate	238.09
butyl lactate	240.94
diethyl carbonate	362.68
propanediol butyl ether	228.87
triethyl orthoformate	352.39
p-tert-butyltoluene	164.29
methyl 4-tert-butylbenzoate	325.77
morpholine	2054.84
tert-butylamine	496.51
n-dodecanol	91.94
dimethoxymethane	1034.2
ethylene carbonate	528.47
cyrene	281.41
2-ethoxyethyl acetate	570.7
2-ethylhexyl acetate	631.78
1,2,4-trichlorobenzene	659.48
4-methylpyridine	1419.18
dibutyl ether	415.67
2,6-dimethyl-4-heptanol	187.98
DEF	1372.23
dimethyl isosorbide	581.49
tetrachloroethylene	1132.75
eugenol	290.67
triacetin	358.85
span 80	242.88
1,4-butanediol	106.27
1,1-dichloroethane	2059.49
2-methyl-1-pentanol	348.12
methyl formate	368.14
2-methyl-1-butanol	471.73
n-decane	44.42
butyronitrile	883.94
3,7-dimethyl-1-octanol	200.55
1-chlorooctane	201.71
1-chlorotetradecane	73.57
n-nonane	46.44
undecane	30.91
tert-butylcyclohexane	94.97
cyclooctane	64.31
cyclopentanol	500.48
tetrahydropyran	2033.4
tert-amyl methyl ether	640.4
2,5,8-trioxanonane	526.34
1-hexene	638.92
2-isopropoxyethanol	383.63
2,2,2-trifluoroethanol	107.76
methyl butyrate	900.55

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