Molecular formula
C11H16O2

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

Fragrance
Herbal	60.34%
Fruity	59.71%
Woody	58.97%
Spicy	53.83%
Sweet	42.2%
Floral	41.23%
Tobacco	39.97%
Mint	39.73%
Dry	37.46%
Camphoreous	32.09%

 

Flavor
Woody	39.22%
Minty	32.82%
Phenolic	32.18%
Camphor	25.53%
Tobacco	25.26%
Mint	24.8%
Herbal	24.66%
Sweet	24.34%
Dry	22.69%
Spice	22.39%

 

Odor impact est.
Medium

XLogP3-AA
2.1

pKa est.
7.99 (neutral)

Molecular weight
180.24 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
283°C

Flash point

• 135.41 ˚C est.

2,5,6,6-Tetramethyl-2,4-cyclohexadienecarboxylic acid is an organic intermediate with several potential applications: it may be used as a building block or precursor in fragrance chemistry and personal care formulations, serving as a basis for derivatives used in cosmetics; it can also serve as a precursor for various polymers and plastics; it may be used in coatings and inks as a matrix component or additive for polymer systems; and it is regarded as a key building block in industrial manufacturing processes enabling subsequent synthetic steps.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	480.8
methanol	605.82
isopropanol	363.25
water	4.57
ethyl acetate	297.82
n-propanol	438.84
acetone	422.25
n-butanol	324.75
acetonitrile	430.31
DMF	633.84
toluene	174.29
isobutanol	237.36
1,4-dioxane	905.18
methyl acetate	296.99
THF	1788.24
2-butanone	366.05
n-pentanol	200.93
sec-butanol	280.78
n-hexane	50.55
ethylene glycol	88.33
NMP	424.17
cyclohexane	38.66
DMSO	523.82
n-butyl acetate	161.61
n-octanol	134.64
chloroform	448.3
n-propyl acetate	126.76
acetic acid	153.68
dichloromethane	400.83
cyclohexanone	443.44
propylene glycol	99.65
isopropyl acetate	151.5
DMAc	200.74
2-ethoxyethanol	246.93
isopentanol	199.73
n-heptane	27.98
ethyl formate	179.02
1,2-dichloroethane	337.27
n-hexanol	338.23
2-methoxyethanol	492.06
isobutyl acetate	70.89
tetrachloromethane	93.27
n-pentyl acetate	114.03
transcutol	257.31
n-heptanol	152.51
ethylbenzene	88.24
MIBK	172.64
2-propoxyethanol	467.19
tert-butanol	347.27
MTBE	257.66
2-butoxyethanol	191.86
propionic acid	179.34
o-xylene	87.0
formic acid	104.2
diethyl ether	409.61
m-xylene	134.02
p-xylene	92.26
chlorobenzene	161.29
dimethyl carbonate	111.93
n-octane	15.74
formamide	154.08
cyclopentanone	722.68
2-pentanone	329.13
anisole	160.54
cyclopentyl methyl ether	529.08
gamma-butyrolactone	662.7
1-methoxy-2-propanol	412.38
pyridine	354.69
3-pentanone	217.62
furfural	288.87
n-dodecane	11.09
diethylene glycol	276.27
diisopropyl ether	93.07
tert-amyl alcohol	238.6
acetylacetone	237.48
n-hexadecane	12.65
acetophenone	105.14
methyl propionate	249.84
isopentyl acetate	134.15
trichloroethylene	413.26
n-nonanol	114.02
cyclohexanol	250.42
benzyl alcohol	111.54
2-ethylhexanol	136.4
isooctanol	104.31
dipropyl ether	140.24
1,2-dichlorobenzene	118.23
ethyl lactate	66.73
propylene carbonate	209.24
n-methylformamide	384.27
2-pentanol	217.79
n-pentane	45.3
1-propoxy-2-propanol	257.18
1-methoxy-2-propyl acetate	169.93
2-(2-methoxypropoxy) propanol	105.44
mesitylene	76.17
ε-caprolactone	297.83
p-cymene	49.44
epichlorohydrin	699.24
1,1,1-trichloroethane	257.65
2-aminoethanol	182.94
morpholine-4-carbaldehyde	393.38
sulfolane	580.31
2,2,4-trimethylpentane	19.96
2-methyltetrahydrofuran	815.5
n-hexyl acetate	161.2
isooctane	19.71
2-(2-butoxyethoxy)ethanol	158.49
sec-butyl acetate	84.4
tert-butyl acetate	159.6
decalin	23.59
glycerin	122.17
diglyme	251.27
acrylic acid	122.34
isopropyl myristate	61.49
n-butyric acid	217.86
acetyl acetate	108.78
di(2-ethylhexyl) phthalate	50.72
ethyl propionate	126.94
nitromethane	345.9
1,2-diethoxyethane	135.32
benzonitrile	138.64
trioctyl phosphate	50.28
1-bromopropane	281.37
gamma-valerolactone	614.1
n-decanol	84.23
triethyl phosphate	48.34
4-methyl-2-pentanol	123.76
propionitrile	362.5
vinylene carbonate	167.43
1,1,2-trichlorotrifluoroethane	191.12
DMS	107.25
cumene	59.9
2-octanol	103.01
2-hexanone	163.85
octyl acetate	80.69
limonene	70.78
1,2-dimethoxyethane	360.59
ethyl orthosilicate	50.15
tributyl phosphate	49.58
diacetone alcohol	209.24
N,N-dimethylaniline	100.37
acrylonitrile	329.36
aniline	184.1
1,3-propanediol	254.83
bromobenzene	150.25
dibromomethane	322.99
1,1,2,2-tetrachloroethane	315.95
2-methyl-cyclohexyl acetate	86.92
tetrabutyl urea	69.18
diisobutyl methanol	72.21
2-phenylethanol	159.39
styrene	85.1
dioctyl adipate	62.06
dimethyl sulfate	159.48
ethyl butyrate	92.29
methyl lactate	113.89
butyl lactate	79.56
diethyl carbonate	55.69
propanediol butyl ether	130.26
triethyl orthoformate	64.3
p-tert-butyltoluene	55.03
methyl 4-tert-butylbenzoate	112.33
morpholine	992.12
tert-butylamine	210.47
n-dodecanol	60.33
dimethoxymethane	511.72
ethylene carbonate	153.18
cyrene	118.0
2-ethoxyethyl acetate	126.67
2-ethylhexyl acetate	106.93
1,2,4-trichlorobenzene	123.84
4-methylpyridine	327.81
dibutyl ether	89.72
2,6-dimethyl-4-heptanol	72.21
DEF	231.52
dimethyl isosorbide	195.25
tetrachloroethylene	201.93
eugenol	112.94
triacetin	77.53
span 80	104.37
1,4-butanediol	90.05
1,1-dichloroethane	351.59
2-methyl-1-pentanol	130.43
methyl formate	269.84
2-methyl-1-butanol	189.24
n-decane	20.17
butyronitrile	339.9
3,7-dimethyl-1-octanol	95.73
1-chlorooctane	78.53
1-chlorotetradecane	28.68
n-nonane	20.27
undecane	14.78
tert-butylcyclohexane	27.04
cyclooctane	16.53
cyclopentanol	383.25
tetrahydropyran	854.83
tert-amyl methyl ether	181.74
2,5,8-trioxanonane	153.65
1-hexene	147.15
2-isopropoxyethanol	150.63
2,2,2-trifluoroethanol	74.92
methyl butyrate	152.42

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