Molecular formula
C6H6O6

SMILES
C1[C@H]([C@@H](OC1=O)C(=O)O)C(=O)O

Fragrance
Odorless	65.19%
Caramellic	38.04%
Sour	37.79%
Burnt	33.41%
Nutty	26.15%
Buttery	25.95%
Sharp	24.82%
Roasted	23.03%
Winey	21.66%
Sweet	19.15%

 

Flavor
Odorless	56.25%
Very mild	38.22%
Sour	34.32%
Caramellic	25.29%
Nutty	25.19%
Yeast	21.92%
Faint	21.85%
Mild	21.18%
Urine	21.02%
Extremely sweet	20.33%

 

Odor impact est.
Low

XLogP3-AA
-1.0

pKa est.
4.62 (weak acid)

Molecular weight
174.11 g/mol

Vapor pressure est.

• hPa @ 20°C
• hPa @ 25°C

Evaporation rate
Ultra slow

Boiling point est.
412°C

Flash point

• 212.92 ˚C est.

• oxolane-2,3-dicarboxylic acid, 5-oxo-
• SCHEMBL8183533

(2R,3R)-5-oxooxolane-2,3-dicarboxylic acid is typically used as a chiral building block and intermediate in organic synthesis, enabling the preparation of pharmaceutical intermediates and fine chemicals; it also serves as a precursor for lactone- and dicarboxylate-containing monomers and polyesters for specialty polymers and coatings; in industrial manufacturing, it is evaluated as an intermediate for agrochemical precursors and related functional compounds; the molecule can act as a scaffold for ligands or chelating agents in catalysis and materials science; its use is subject to local regulations and formulation limits.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	154.34
methanol	342.42
isopropanol	106.67
water	339.95
ethyl acetate	10.03
n-propanol	87.65
acetone	122.17
n-butanol	63.35
acetonitrile	44.01
DMF	965.24
toluene	2.99
isobutanol	43.73
1,4-dioxane	135.55
methyl acetate	36.58
THF	172.83
2-butanone	48.78
n-pentanol	39.91
sec-butanol	60.56
n-hexane	1.65
ethylene glycol	251.81
NMP	172.24
cyclohexane	1.23
DMSO	1733.76
n-butyl acetate	8.6
n-octanol	23.48
chloroform	10.89
n-propyl acetate	11.68
acetic acid	37.16
dichloromethane	27.9
cyclohexanone	29.02
propylene glycol	94.16
isopropyl acetate	7.26
DMAc	432.63
2-ethoxyethanol	249.13
isopentanol	43.87
n-heptane	1.45
ethyl formate	47.87
1,2-dichloroethane	32.77
n-hexanol	22.9
2-methoxyethanol	480.93
isobutyl acetate	3.37
tetrachloromethane	4.01
n-pentyl acetate	8.15
transcutol	80.1
n-heptanol	19.21
ethylbenzene	3.84
MIBK	14.87
2-propoxyethanol	100.46
tert-butanol	120.7
MTBE	27.6
2-butoxyethanol	61.08
propionic acid	21.3
o-xylene	4.71
formic acid	221.62
diethyl ether	26.75
m-xylene	3.16
p-xylene	5.01
chlorobenzene	2.35
dimethyl carbonate	35.48
n-octane	1.29
formamide	380.69
cyclopentanone	58.58
2-pentanone	28.03
anisole	22.66
cyclopentyl methyl ether	23.61
gamma-butyrolactone	62.16
1-methoxy-2-propanol	197.33
pyridine	27.44
3-pentanone	17.49
furfural	80.59
n-dodecane	1.28
diethylene glycol	181.68
diisopropyl ether	4.71
tert-amyl alcohol	71.05
acetylacetone	29.74
n-hexadecane	1.37
acetophenone	18.62
methyl propionate	22.25
isopentyl acetate	6.62
trichloroethylene	22.26
n-nonanol	20.73
cyclohexanol	22.21
benzyl alcohol	27.33
2-ethylhexanol	9.57
isooctanol	12.8
dipropyl ether	13.22
1,2-dichlorobenzene	3.78
ethyl lactate	21.13
propylene carbonate	16.08
n-methylformamide	347.88
2-pentanol	27.76
n-pentane	1.5
1-propoxy-2-propanol	44.9
1-methoxy-2-propyl acetate	14.51
2-(2-methoxypropoxy) propanol	47.2
mesitylene	2.98
ε-caprolactone	23.55
p-cymene	3.22
epichlorohydrin	111.6
1,1,1-trichloroethane	6.76
2-aminoethanol	223.84
morpholine-4-carbaldehyde	241.39
sulfolane	131.62
2,2,4-trimethylpentane	0.63
2-methyltetrahydrofuran	47.1
n-hexyl acetate	12.31
isooctane	0.48
2-(2-butoxyethoxy)ethanol	66.87
sec-butyl acetate	5.06
tert-butyl acetate	10.96
decalin	0.87
glycerin	187.62
diglyme	148.3
acrylic acid	24.28
isopropyl myristate	6.24
n-butyric acid	18.16
acetyl acetate	5.39
di(2-ethylhexyl) phthalate	8.08
ethyl propionate	12.13
nitromethane	150.58
1,2-diethoxyethane	24.52
benzonitrile	10.65
trioctyl phosphate	8.4
1-bromopropane	10.43
gamma-valerolactone	108.97
n-decanol	16.27
triethyl phosphate	9.49
4-methyl-2-pentanol	13.66
propionitrile	24.96
vinylene carbonate	16.54
1,1,2-trichlorotrifluoroethane	87.1
DMS	9.82
cumene	3.44
2-octanol	13.36
2-hexanone	19.29
octyl acetate	9.73
limonene	3.77
1,2-dimethoxyethane	372.08
ethyl orthosilicate	8.68
tributyl phosphate	6.83
diacetone alcohol	42.59
N,N-dimethylaniline	23.84
acrylonitrile	39.39
aniline	11.18
1,3-propanediol	208.13
bromobenzene	1.87
dibromomethane	13.24
1,1,2,2-tetrachloroethane	24.94
2-methyl-cyclohexyl acetate	6.55
tetrabutyl urea	17.11
diisobutyl methanol	7.13
2-phenylethanol	17.38
styrene	3.51
dioctyl adipate	8.83
dimethyl sulfate	98.58
ethyl butyrate	7.99
methyl lactate	44.73
butyl lactate	11.62
diethyl carbonate	7.17
propanediol butyl ether	46.73
triethyl orthoformate	9.15
p-tert-butyltoluene	3.23
methyl 4-tert-butylbenzoate	21.88
morpholine	160.39
tert-butylamine	42.91
n-dodecanol	12.18
dimethoxymethane	304.13
ethylene carbonate	15.05
cyrene	46.49
2-ethoxyethyl acetate	12.17
2-ethylhexyl acetate	4.93
1,2,4-trichlorobenzene	4.62
4-methylpyridine	24.03
dibutyl ether	11.82
2,6-dimethyl-4-heptanol	7.13
DEF	79.38
dimethyl isosorbide	48.95
tetrachloroethylene	17.2
eugenol	31.61
triacetin	10.51
span 80	24.11
1,4-butanediol	108.76
1,1-dichloroethane	10.18
2-methyl-1-pentanol	24.66
methyl formate	248.38
2-methyl-1-butanol	38.02
n-decane	1.96
butyronitrile	22.12
3,7-dimethyl-1-octanol	13.37
1-chlorooctane	5.95
1-chlorotetradecane	2.97
n-nonane	1.94
undecane	1.55
tert-butylcyclohexane	0.79
cyclooctane	0.73
cyclopentanol	41.31
tetrahydropyran	35.51
tert-amyl methyl ether	22.06
2,5,8-trioxanonane	110.25
1-hexene	4.96
2-isopropoxyethanol	92.77
2,2,2-trifluoroethanol	47.39
methyl butyrate	20.9

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