Molecular formula
C14H20O

SMILES
CC1=C(C=C(C=C1C(C)C)C=O)C(C)C

Fragrance
Herbal	70.61%
Spicy	59.09%
Green	57.57%
Woody	50.84%
Earthy	35.16%
Leafy	34.74%
Phenolic	34.01%
Leathery	30.44%
Citrus	30.27%
Dry	30.05%

 

Flavor
Woody	49.76%
Herbal	48.09%
Spicy	35.62%
Spice	31.45%
Camphor	26.6%
Bitter	25.42%
Wood	23.22%
Herb	22.35%
Thymol	21.53%
Musty	21.28%

 

Odor impact est.
Medium

XLogP3-AA
4.0

pKa est.
7.84 (neutral)

Molecular weight
204.31 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
278°C

Flash point

• 124.67 ˚C est.

4-Methyl-3,5-di(propan-2-yl)benzaldehyde is used primarily as a fragrance ingredient in perfumery, functioning as an odorant and aroma component in cosmetic and personal care formulations. It may also be employed as a fragrance additive in household products such as cleaners and air fresheners. In industrial manufacturing, it serves as an intermediate for the synthesis of more complex aroma compounds, and in coatings and inks it can act as a fragrance additive within scent-enabled formulations. The compound can also serve as a building block for fragrance-related polymers and resins used in specialty plastics, with all uses subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	596.89
methanol	329.09
isopropanol	486.77
water	0.19
ethyl acetate	1064.05
n-propanol	566.88
acetone	1838.48
n-butanol	497.22
acetonitrile	1156.73
DMF	2200.22
toluene	844.79
isobutanol	400.55
1,4-dioxane	2001.39
methyl acetate	1175.13
THF	3909.95
2-butanone	1472.77
n-pentanol	302.37
sec-butanol	385.45
n-hexane	101.66
ethylene glycol	53.1
NMP	1824.89
cyclohexane	208.68
DMSO	825.16
n-butyl acetate	923.5
n-octanol	190.67
chloroform	3030.62
n-propyl acetate	544.86
acetic acid	348.11
dichloromethane	4174.98
cyclohexanone	2326.36
propylene glycol	94.21
isopropyl acetate	536.94
DMAc	1019.38
2-ethoxyethanol	331.77
isopentanol	360.3
n-heptane	98.18
ethyl formate	865.02
1,2-dichloroethane	2549.03
n-hexanol	515.25
2-methoxyethanol	627.38
isobutyl acetate	337.89
tetrachloromethane	501.19
n-pentyl acetate	426.65
transcutol	547.2
n-heptanol	204.37
ethylbenzene	358.21
MIBK	492.23
2-propoxyethanol	653.46
tert-butanol	461.27
MTBE	658.58
2-butoxyethanol	298.93
propionic acid	417.57
o-xylene	400.97
formic acid	57.23
diethyl ether	917.36
m-xylene	506.5
p-xylene	441.27
chlorobenzene	1066.06
dimethyl carbonate	321.27
n-octane	45.93
formamide	179.19
cyclopentanone	3325.27
2-pentanone	1155.41
anisole	588.11
cyclopentyl methyl ether	1266.48
gamma-butyrolactone	2961.86
1-methoxy-2-propanol	493.07
pyridine	1901.89
3-pentanone	854.97
furfural	1486.72
n-dodecane	31.32
diethylene glycol	260.84
diisopropyl ether	210.66
tert-amyl alcohol	357.59
acetylacetone	1024.25
n-hexadecane	38.26
acetophenone	506.94
methyl propionate	880.16
isopentyl acetate	671.46
trichloroethylene	3887.96
n-nonanol	170.46
cyclohexanol	553.37
benzyl alcohol	367.24
2-ethylhexanol	293.3
isooctanol	155.67
dipropyl ether	487.5
1,2-dichlorobenzene	780.48
ethyl lactate	175.92
propylene carbonate	1172.32
n-methylformamide	935.5
2-pentanol	297.35
n-pentane	102.04
1-propoxy-2-propanol	447.63
1-methoxy-2-propyl acetate	600.2
2-(2-methoxypropoxy) propanol	213.9
mesitylene	277.89
ε-caprolactone	1499.68
p-cymene	243.86
epichlorohydrin	3175.9
1,1,1-trichloroethane	1882.62
2-aminoethanol	133.46
morpholine-4-carbaldehyde	1417.05
sulfolane	2015.53
2,2,4-trimethylpentane	44.27
2-methyltetrahydrofuran	2253.04
n-hexyl acetate	535.54
isooctane	36.78
2-(2-butoxyethoxy)ethanol	286.55
sec-butyl acetate	313.43
tert-butyl acetate	484.39
decalin	88.14
glycerin	91.93
diglyme	655.36
acrylic acid	324.81
isopropyl myristate	196.68
n-butyric acid	627.92
acetyl acetate	495.78
di(2-ethylhexyl) phthalate	173.35
ethyl propionate	478.63
nitromethane	1176.32
1,2-diethoxyethane	501.5
benzonitrile	684.43
trioctyl phosphate	138.76
1-bromopropane	1344.25
gamma-valerolactone	2811.69
n-decanol	130.04
triethyl phosphate	188.32
4-methyl-2-pentanol	153.14
propionitrile	832.4
vinylene carbonate	949.29
1,1,2-trichlorotrifluoroethane	748.63
DMS	420.08
cumene	216.79
2-octanol	155.03
2-hexanone	589.1
octyl acetate	270.33
limonene	369.25
1,2-dimethoxyethane	923.03
ethyl orthosilicate	178.59
tributyl phosphate	148.3
diacetone alcohol	442.93
N,N-dimethylaniline	338.92
acrylonitrile	969.5
aniline	608.85
1,3-propanediol	256.0
bromobenzene	1230.87
dibromomethane	2517.28
1,1,2,2-tetrachloroethane	2381.05
2-methyl-cyclohexyl acetate	380.76
tetrabutyl urea	204.81
diisobutyl methanol	161.68
2-phenylethanol	456.64
styrene	440.05
dioctyl adipate	268.03
dimethyl sulfate	456.94
ethyl butyrate	540.49
methyl lactate	225.95
butyl lactate	234.6
diethyl carbonate	305.88
propanediol butyl ether	207.14
triethyl orthoformate	294.64
p-tert-butyltoluene	232.66
methyl 4-tert-butylbenzoate	362.33
morpholine	2110.83
tert-butylamine	305.14
n-dodecanol	101.58
dimethoxymethane	1155.2
ethylene carbonate	830.28
cyrene	334.0
2-ethoxyethyl acetate	511.21
2-ethylhexyl acetate	542.47
1,2,4-trichlorobenzene	803.05
4-methylpyridine	1788.44
dibutyl ether	298.91
2,6-dimethyl-4-heptanol	161.68
DEF	1134.69
dimethyl isosorbide	618.23
tetrachloroethylene	1367.34
eugenol	280.09
triacetin	330.56
span 80	240.97
1,4-butanediol	101.8
1,1-dichloroethane	2282.14
2-methyl-1-pentanol	259.89
methyl formate	804.4
2-methyl-1-butanol	360.34
n-decane	55.0
butyronitrile	879.83
3,7-dimethyl-1-octanol	168.69
1-chlorooctane	232.32
1-chlorotetradecane	90.78
n-nonane	55.68
undecane	40.52
tert-butylcyclohexane	78.69
cyclooctane	67.55
cyclopentanol	749.24
tetrahydropyran	2173.83
tert-amyl methyl ether	425.46
2,5,8-trioxanonane	373.91
1-hexene	343.32
2-isopropoxyethanol	253.57
2,2,2-trifluoroethanol	134.61
methyl butyrate	707.59

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