Molecular formula
C6H9O4-

SMILES
CC(C)(C(=O)[O-])C(=O)OC

Fragrance
Fruity	77.17%
Sour	34.64%
Caramellic	30.35%
Ethereal	29.07%
Pungent	28.44%
Winey	27.94%
Sharp	27.58%
Grape	27.4%
Buttery	26.14%
Cheesy	26.1%

 

Flavor
Fruity	51.61%
Berry	23.6%
Grape skin	21.61%
Sweet	21.24%
Dried berry	21.09%
Light	20.93%
Tropical	20.64%
Toffee	20.61%
Molasses	20.14%
Roquefort cheese	19.99%

 

Odor impact est.
Low

XLogP3-AA
1.7

pKa est.
3.98 (weak acid)

Molecular weight
145.13 g/mol

Flash point

• 58.88 ˚C est.

• Propanedioic acid, 2,2-dimethyl-, 1-methyl ester
• Propanedioic acid, dimethyl-, monomethyl ester
• methyl dimethylmalonate
• ZFYWXMJNWOVLMZ-UHFFFAOYSA-M

Propanedioic acid, dimethyl-, monomethyl ester is a versatile building block in organic synthesis, notably as a reactive methylene donor in the malonate ester family, enabling introduction of alkyl groups and subsequent hydrolysis to access substituted acetic acids and 1,3-dicarbonyl compounds. In industrial manufacturing it serves as an important intermediate for pharmaceuticals and agrochemicals, providing routes to a range of active ingredients and heterocyclic scaffolds. It is also used in polymer and materials chemistry as a precursor for specialty polymers or as a functionalized monomer, and in research and development settings as a reagent for Knoevenagel condensations and related carbon–carbon bond-forming reactions.

gpt-5-nano

Solvent	Solubility (g/L)
ethanol	635.91
methanol	840.55
isopropanol	574.5
water	30.29
ethyl acetate	410.68
n-propanol	423.1
acetone	699.9
n-butanol	401.4
acetonitrile	633.58
DMF	1244.39
toluene	208.42
isobutanol	328.14
1,4-dioxane	794.96
methyl acetate	445.76
THF	872.79
2-butanone	459.91
n-pentanol	289.0
sec-butanol	428.62
n-hexane	55.16
ethylene glycol	236.31
NMP	743.04
cyclohexane	60.95
DMSO	934.09
n-butyl acetate	145.63
n-octanol	114.78
chloroform	716.31
n-propyl acetate	205.41
acetic acid	556.16
dichloromethane	740.5
cyclohexanone	401.98
propylene glycol	182.76
isopropyl acetate	252.35
DMAc	835.62
2-ethoxyethanol	613.0
isopentanol	372.01
n-heptane	25.26
ethyl formate	335.64
1,2-dichloroethane	534.58
n-hexanol	206.08
2-methoxyethanol	1017.14
isobutyl acetate	102.42
tetrachloromethane	201.85
n-pentyl acetate	105.98
transcutol	534.98
n-heptanol	106.91
ethylbenzene	137.02
MIBK	271.48
2-propoxyethanol	398.84
tert-butanol	957.41
MTBE	566.32
2-butoxyethanol	191.17
propionic acid	295.39
o-xylene	183.69
formic acid	594.83
diethyl ether	530.72
m-xylene	173.4
p-xylene	172.62
chlorobenzene	205.76
dimethyl carbonate	247.44
n-octane	12.64
formamide	895.31
cyclopentanone	494.21
2-pentanone	398.61
anisole	302.13
cyclopentyl methyl ether	423.4
gamma-butyrolactone	597.36
1-methoxy-2-propanol	694.24
pyridine	388.98
3-pentanone	312.06
furfural	538.58
n-dodecane	9.95
diethylene glycol	379.57
diisopropyl ether	169.4
tert-amyl alcohol	641.55
acetylacetone	437.94
n-hexadecane	11.21
acetophenone	271.08
methyl propionate	373.65
isopentyl acetate	135.25
trichloroethylene	848.36
n-nonanol	100.59
cyclohexanol	310.3
benzyl alcohol	254.06
2-ethylhexanol	108.16
isooctanol	89.67
dipropyl ether	135.44
1,2-dichlorobenzene	217.03
ethyl lactate	125.72
propylene carbonate	304.84
n-methylformamide	737.22
2-pentanol	318.39
n-pentane	62.39
1-propoxy-2-propanol	214.36
1-methoxy-2-propyl acetate	184.04
2-(2-methoxypropoxy) propanol	175.81
mesitylene	122.23
ε-caprolactone	343.52
p-cymene	68.38
epichlorohydrin	744.38
1,1,1-trichloroethane	541.16
2-aminoethanol	344.48
morpholine-4-carbaldehyde	792.61
sulfolane	609.59
2,2,4-trimethylpentane	45.01
2-methyltetrahydrofuran	626.89
n-hexyl acetate	165.12
isooctane	30.61
2-(2-butoxyethoxy)ethanol	220.75
sec-butyl acetate	143.28
tert-butyl acetate	318.76
decalin	40.33
glycerin	277.46
diglyme	459.35
acrylic acid	299.22
isopropyl myristate	69.03
n-butyric acid	345.46
acetyl acetate	238.32
di(2-ethylhexyl) phthalate	67.69
ethyl propionate	215.91
nitromethane	1040.91
1,2-diethoxyethane	208.13
benzonitrile	238.68
trioctyl phosphate	54.39
1-bromopropane	292.02
gamma-valerolactone	649.05
n-decanol	71.88
triethyl phosphate	81.95
4-methyl-2-pentanol	196.98
propionitrile	374.93
vinylene carbonate	295.92
1,1,2-trichlorotrifluoroethane	505.29
DMS	151.11
cumene	103.47
2-octanol	82.27
2-hexanone	231.06
octyl acetate	86.22
limonene	96.37
1,2-dimethoxyethane	809.28
ethyl orthosilicate	80.38
tributyl phosphate	60.7
diacetone alcohol	408.67
N,N-dimethylaniline	256.1
acrylonitrile	447.83
aniline	253.04
1,3-propanediol	493.0
bromobenzene	205.48
dibromomethane	489.12
1,1,2,2-tetrachloroethane	698.15
2-methyl-cyclohexyl acetate	117.38
tetrabutyl urea	87.38
diisobutyl methanol	85.03
2-phenylethanol	176.26
styrene	152.95
dioctyl adipate	89.19
dimethyl sulfate	365.12
ethyl butyrate	135.21
methyl lactate	192.98
butyl lactate	88.3
diethyl carbonate	100.21
propanediol butyl ether	171.99
triethyl orthoformate	95.6
p-tert-butyltoluene	74.57
methyl 4-tert-butylbenzoate	182.95
morpholine	875.71
tert-butylamine	555.96
n-dodecanol	53.68
dimethoxymethane	872.63
ethylene carbonate	236.62
cyrene	243.56
2-ethoxyethyl acetate	155.32
2-ethylhexyl acetate	99.84
1,2,4-trichlorobenzene	246.92
4-methylpyridine	427.09
dibutyl ether	96.06
2,6-dimethyl-4-heptanol	85.03
DEF	545.38
dimethyl isosorbide	281.32
tetrachloroethylene	516.85
eugenol	166.66
triacetin	144.52
span 80	125.65
1,4-butanediol	222.68
1,1-dichloroethane	526.21
2-methyl-1-pentanol	265.8
methyl formate	571.93
2-methyl-1-butanol	327.87
n-decane	17.66
butyronitrile	366.9
3,7-dimethyl-1-octanol	114.33
1-chlorooctane	71.05
1-chlorotetradecane	28.23
n-nonane	17.2
undecane	12.65
tert-butylcyclohexane	41.97
cyclooctane	25.7
cyclopentanol	348.27
tetrahydropyran	534.77
tert-amyl methyl ether	460.93
2,5,8-trioxanonane	292.09
1-hexene	147.72
2-isopropoxyethanol	367.81
2,2,2-trifluoroethanol	322.64
methyl butyrate	273.96

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