Molecular formula
C11H16O

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

Fragrance
Woody	70.16%
Herbal	67.63%
Sweet	64.27%
Floral	58.25%
Green	55.82%
Mint	55.43%
Tobacco	51.71%
Spicy	51.69%
Fruity	48.38%
Citrus	46.27%

 

Flavor
Sweet	72.53%
Tobacco	61.14%
Woody	59.25%
Herbal	48.57%
Fruity	47.29%
Spicy	43.07%
Phenolic	42.6%
Minty	39.46%
Powdery	37.04%
Dry	36.74%

 

Odor impact est.
High

XLogP3-AA
2.1

pKa est.
8.18 (weak base)

Molecular weight
164.24 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Moderately fast

Boiling point est.
214°C

Flash point

• 103.48 ˚C est.

2,4,6,6-tetramethylcyclohexa-1,3-diene-1-carbaldehyde is commonly considered a synthetic intermediate suitable for various industrial applications. In perfumery and personal care, it may be used as a fragrance ingredient or odorant and as a precursor to more complex aroma compounds. In industrial manufacturing, it can serve as a building block for specialty polymers and resins, or as a starting point for additional organic syntheses. In coatings and inks, it may function as a reactive aldehyde component or functional additive. It may also be evaluated for cleaning and household formulations where aldehyde functionality can support formulation performance; usage is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	1108.65
methanol	1120.51
isopropanol	678.72
water	2.11
ethyl acetate	1930.46
n-propanol	1025.23
acetone	2071.45
n-butanol	850.64
acetonitrile	2104.46
DMF	1907.44
toluene	1439.72
isobutanol	689.94
1,4-dioxane	3137.02
methyl acetate	1647.73
THF	5696.02
2-butanone	1780.37
n-pentanol	436.05
sec-butanol	654.08
n-hexane	233.42
ethylene glycol	137.91
NMP	2488.88
cyclohexane	529.53
DMSO	1110.05
n-butyl acetate	1037.41
n-octanol	297.12
chloroform	3116.16
n-propyl acetate	649.44
acetic acid	979.04
dichloromethane	3166.78
cyclohexanone	2984.38
propylene glycol	176.8
isopropyl acetate	960.94
DMAc	870.57
2-ethoxyethanol	502.5
isopentanol	607.0
n-heptane	193.69
ethyl formate	1044.88
1,2-dichloroethane	2276.81
n-hexanol	955.56
2-methoxyethanol	1168.97
isobutyl acetate	376.24
tetrachloromethane	579.5
n-pentyl acetate	530.11
transcutol	1527.24
n-heptanol	313.43
ethylbenzene	439.95
MIBK	777.57
2-propoxyethanol	1222.84
tert-butanol	692.64
MTBE	980.24
2-butoxyethanol	457.06
propionic acid	842.27
o-xylene	548.54
formic acid	368.38
diethyl ether	1869.22
m-xylene	833.53
p-xylene	484.56
chlorobenzene	1267.54
dimethyl carbonate	605.96
n-octane	60.37
formamide	557.03
cyclopentanone	3865.56
2-pentanone	1670.48
anisole	710.55
cyclopentyl methyl ether	2866.33
gamma-butyrolactone	4137.23
1-methoxy-2-propanol	942.47
pyridine	2150.02
3-pentanone	1212.74
furfural	1973.09
n-dodecane	38.12
diethylene glycol	610.13
diisopropyl ether	486.06
tert-amyl alcohol	548.45
acetylacetone	1351.93
n-hexadecane	47.17
acetophenone	495.38
methyl propionate	1511.2
isopentyl acetate	820.04
trichloroethylene	3640.82
n-nonanol	244.77
cyclohexanol	1193.44
benzyl alcohol	425.28
2-ethylhexanol	457.72
isooctanol	228.53
dipropyl ether	659.84
1,2-dichlorobenzene	902.73
ethyl lactate	217.29
propylene carbonate	1696.57
n-methylformamide	1330.29
2-pentanol	609.39
n-pentane	274.42
1-propoxy-2-propanol	694.89
1-methoxy-2-propyl acetate	959.48
2-(2-methoxypropoxy) propanol	340.54
mesitylene	444.69
ε-caprolactone	2076.02
p-cymene	253.66
epichlorohydrin	3923.23
1,1,1-trichloroethane	2070.12
2-aminoethanol	306.18
morpholine-4-carbaldehyde	1765.79
sulfolane	2676.59
2,2,4-trimethylpentane	90.03
2-methyltetrahydrofuran	4016.31
n-hexyl acetate	821.51
isooctane	95.79
2-(2-butoxyethoxy)ethanol	523.64
sec-butyl acetate	436.0
tert-butyl acetate	907.4
decalin	149.24
glycerin	215.27
diglyme	975.63
acrylic acid	682.53
isopropyl myristate	240.92
n-butyric acid	1133.09
acetyl acetate	940.73
di(2-ethylhexyl) phthalate	188.82
ethyl propionate	644.79
nitromethane	1999.44
1,2-diethoxyethane	784.84
benzonitrile	826.59
trioctyl phosphate	160.62
1-bromopropane	1541.2
gamma-valerolactone	3328.76
n-decanol	172.44
triethyl phosphate	219.6
4-methyl-2-pentanol	325.72
propionitrile	1449.45
vinylene carbonate	1389.28
1,1,2-trichlorotrifluoroethane	1008.76
DMS	645.21
cumene	234.8
2-octanol	218.95
2-hexanone	659.12
octyl acetate	318.51
limonene	417.67
1,2-dimethoxyethane	985.65
ethyl orthosilicate	222.63
tributyl phosphate	204.98
diacetone alcohol	730.8
N,N-dimethylaniline	350.33
acrylonitrile	1490.57
aniline	944.95
1,3-propanediol	507.86
bromobenzene	1404.27
dibromomethane	2187.86
1,1,2,2-tetrachloroethane	2010.95
2-methyl-cyclohexyl acetate	426.2
tetrabutyl urea	237.86
diisobutyl methanol	229.1
2-phenylethanol	584.7
styrene	496.74
dioctyl adipate	282.49
dimethyl sulfate	669.45
ethyl butyrate	588.04
methyl lactate	378.61
butyl lactate	295.53
diethyl carbonate	338.47
propanediol butyl ether	319.64
triethyl orthoformate	361.95
p-tert-butyltoluene	258.96
methyl 4-tert-butylbenzoate	424.87
morpholine	3289.05
tert-butylamine	509.42
n-dodecanol	127.73
dimethoxymethane	1728.79
ethylene carbonate	1229.15
cyrene	349.71
2-ethoxyethyl acetate	726.3
2-ethylhexyl acetate	651.62
1,2,4-trichlorobenzene	909.92
4-methylpyridine	2046.36
dibutyl ether	442.02
2,6-dimethyl-4-heptanol	229.1
DEF	1313.65
dimethyl isosorbide	830.01
tetrachloroethylene	1388.99
eugenol	339.99
triacetin	436.69
span 80	313.25
1,4-butanediol	142.73
1,1-dichloroethane	2234.17
2-methyl-1-pentanol	352.93
methyl formate	1202.3
2-methyl-1-butanol	639.35
n-decane	73.93
butyronitrile	1509.85
3,7-dimethyl-1-octanol	265.44
1-chlorooctane	289.92
1-chlorotetradecane	103.99
n-nonane	79.01
undecane	51.57
tert-butylcyclohexane	129.01
cyclooctane	189.93
cyclopentanol	1359.59
tetrahydropyran	3861.7
tert-amyl methyl ether	736.51
2,5,8-trioxanonane	538.99
1-hexene	550.58
2-isopropoxyethanol	347.5
2,2,2-trifluoroethanol	373.04
methyl butyrate	773.76

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