Molecular formula
C8H8O6

SMILES
C(/C(=C/C(=O)O)/C=C/C(=O)O)C(=O)O

Fragrance
Sour	49.48%
Winey	46.08%
Odorless	40.25%
Caramellic	38.12%
Sweet	37.97%
Burnt	33.29%
Sharp	29.8%
Nutty	28.24%
Buttery	25.53%
Fruity	23.45%

 

Flavor
Odorless	62.0%
Nutty	42.9%
Sour	35.2%
Very mild	34.31%
Musty	27.67%
Mild	26.91%
Caramellic	25.11%
Yeast	23.46%
Mousy	20.59%
Urine	20.45%

 

Odor impact est.
Low

XLogP3-AA
-0.1

pKa est.
4.63 (weak acid)

Molecular weight
200.14 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
417°C

Flash point

• 252.33 ˚C est.

Applications of (2Z,4E)-3-(carboxymethyl)hexa-2,4-dienedioic acid include its use as an intermediate in specialty polymer and resin synthesis; it may act as a crosslinking agent for unsaturated polyesters, vinyl ester resins, coatings, inks, and adhesives; owing to its multiple carboxyl groups, it can function as a chelating/metal-complexing component in industrial formulations and metal-processing workflows; it can also serve as an acidity modifier or functional monomer in polymer and coating systems; and as a building block for functionalized polycarboxylates used in water treatment and cleaning formulations.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	107.32
methanol	292.41
isopropanol	44.45
water	47.12
ethyl acetate	5.5
n-propanol	54.95
acetone	38.66
n-butanol	29.59
acetonitrile	8.88
DMF	391.31
toluene	0.71
isobutanol	20.89
1,4-dioxane	9.17
methyl acetate	11.42
THF	55.16
2-butanone	29.02
n-pentanol	14.57
sec-butanol	29.96
n-hexane	0.98
ethylene glycol	94.32
NMP	164.68
cyclohexane	0.28
DMSO	683.51
n-butyl acetate	4.52
n-octanol	5.1
chloroform	0.82
n-propyl acetate	3.91
acetic acid	15.62
dichloromethane	1.82
cyclohexanone	10.31
propylene glycol	72.71
isopropyl acetate	2.91
DMAc	224.88
2-ethoxyethanol	58.86
isopentanol	13.96
n-heptane	0.67
ethyl formate	13.43
1,2-dichloroethane	2.8
n-hexanol	9.62
2-methoxyethanol	162.81
isobutyl acetate	0.84
tetrachloromethane	0.59
n-pentyl acetate	2.53
transcutol	32.79
n-heptanol	5.25
ethylbenzene	0.82
MIBK	6.0
2-propoxyethanol	39.37
tert-butanol	31.61
MTBE	7.28
2-butoxyethanol	17.42
propionic acid	20.52
o-xylene	1.15
formic acid	87.23
diethyl ether	10.7
m-xylene	0.69
p-xylene	0.67
chlorobenzene	0.35
dimethyl carbonate	10.91
n-octane	0.22
formamide	135.54
cyclopentanone	28.15
2-pentanone	16.23
anisole	3.68
cyclopentyl methyl ether	9.55
gamma-butyrolactone	26.56
1-methoxy-2-propanol	84.41
pyridine	6.49
3-pentanone	12.65
furfural	22.74
n-dodecane	0.13
diethylene glycol	52.14
diisopropyl ether	1.34
tert-amyl alcohol	24.22
acetylacetone	8.25
n-hexadecane	0.14
acetophenone	5.14
methyl propionate	15.05
isopentyl acetate	2.57
trichloroethylene	2.15
n-nonanol	4.27
cyclohexanol	6.61
benzyl alcohol	4.97
2-ethylhexanol	3.31
isooctanol	2.77
dipropyl ether	5.41
1,2-dichlorobenzene	0.51
ethyl lactate	8.6
propylene carbonate	7.13
n-methylformamide	170.81
2-pentanol	13.06
n-pentane	1.01
1-propoxy-2-propanol	21.49
1-methoxy-2-propyl acetate	6.87
2-(2-methoxypropoxy) propanol	15.98
mesitylene	0.48
ε-caprolactone	9.07
p-cymene	0.78
epichlorohydrin	20.35
1,1,1-trichloroethane	0.74
2-aminoethanol	108.55
morpholine-4-carbaldehyde	61.4
sulfolane	76.81
2,2,4-trimethylpentane	0.3
2-methyltetrahydrofuran	15.0
n-hexyl acetate	3.73
isooctane	0.14
2-(2-butoxyethoxy)ethanol	18.3
sec-butyl acetate	1.64
tert-butyl acetate	3.72
decalin	0.18
glycerin	104.95
diglyme	27.82
acrylic acid	20.99
isopropyl myristate	1.35
n-butyric acid	11.14
acetyl acetate	1.45
di(2-ethylhexyl) phthalate	2.69
ethyl propionate	5.33
nitromethane	36.4
1,2-diethoxyethane	4.43
benzonitrile	1.64
trioctyl phosphate	2.23
1-bromopropane	2.11
gamma-valerolactone	33.67
n-decanol	2.92
triethyl phosphate	2.75
4-methyl-2-pentanol	4.71
propionitrile	9.93
vinylene carbonate	5.98
1,1,2-trichlorotrifluoroethane	23.17
DMS	3.39
cumene	0.63
2-octanol	2.72
2-hexanone	7.21
octyl acetate	2.29
limonene	1.18
1,2-dimethoxyethane	54.84
ethyl orthosilicate	2.32
tributyl phosphate	2.32
diacetone alcohol	16.59
N,N-dimethylaniline	4.67
acrylonitrile	13.57
aniline	3.14
1,3-propanediol	70.41
bromobenzene	0.2
dibromomethane	1.19
1,1,2,2-tetrachloroethane	2.43
2-methyl-cyclohexyl acetate	2.23
tetrabutyl urea	5.6
diisobutyl methanol	1.72
2-phenylethanol	4.15
styrene	0.65
dioctyl adipate	2.46
dimethyl sulfate	29.36
ethyl butyrate	3.86
methyl lactate	27.42
butyl lactate	6.53
diethyl carbonate	2.24
propanediol butyl ether	19.53
triethyl orthoformate	2.94
p-tert-butyltoluene	0.73
methyl 4-tert-butylbenzoate	6.89
morpholine	27.97
tert-butylamine	11.8
n-dodecanol	1.86
dimethoxymethane	89.81
ethylene carbonate	4.05
cyrene	19.43
2-ethoxyethyl acetate	3.99
2-ethylhexyl acetate	1.85
1,2,4-trichlorobenzene	0.68
4-methylpyridine	5.61
dibutyl ether	2.33
2,6-dimethyl-4-heptanol	1.72
DEF	34.9
dimethyl isosorbide	18.32
tetrachloroethylene	2.23
eugenol	9.01
triacetin	3.96
span 80	9.29
1,4-butanediol	26.82
1,1-dichloroethane	1.24
2-methyl-1-pentanol	7.12
methyl formate	73.24
2-methyl-1-butanol	16.99
n-decane	0.26
butyronitrile	7.02
3,7-dimethyl-1-octanol	2.69
1-chlorooctane	0.87
1-chlorotetradecane	0.3
n-nonane	0.26
undecane	0.18
tert-butylcyclohexane	0.17
cyclooctane	0.15
cyclopentanol	14.57
tetrahydropyran	6.59
tert-amyl methyl ether	8.64
2,5,8-trioxanonane	19.53
1-hexene	2.46
2-isopropoxyethanol	17.9
2,2,2-trifluoroethanol	11.7
methyl butyrate	7.94

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