Ethylmalonic acid

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  • Identifiers

    CAS number
    601-75-2

    Molecular formula
    C5H8O4

    SMILES
    CCC(C(=O)O)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 65.02%
    Sour 58.46%
    Cheesy 54.04%
    Sharp 33.91%
    Sweaty 31.34%
    Caramellic 30.92%
    Pungent 28.78%
    Dairy 28.52%
    Odorless 27.17%
    Buttery 26.39%

     

    Flavor
    Odorless 64.12%
    Sour 49.27%
    Acidic 33.37%
    Very mild 28.81%
    Mild 26.45%
    Cheese 26.32%
    Yeast 24.1%
    Sweat 24.07%
    Sharp 23.32%
    Rancid 22.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.4

    pKa est.
    5.4 (weak acid)

    Molecular weight
    132.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Melting point expt.

    • 112 - 114 °C

    Flash point

    • 138.23 ˚C est.

    Solubility expt.

    • 712.0 mg/mL

  • Synonyms

    • ETHYLMALONIC ACID
    • 601-75-2
    • 2-ethylpropanedioic acid
    • Propanedioic acid, ethyl-
    • 1,1-Propanedicarboxylic acid
    • alpha-Carboxybutyric acid
    • 2-ethyl-propanedioic acid
    • 432NF49DFG
    • NSC-96615
    • CHEBI:741548
    • DTXSID00208842
    • RefChem:596788
    • DTXCID50131333
    • 210-007-2
    • 2-Ethylmalonic acid
    • Malonic acid, ethyl-
    • ethylmalonate
    • ethylpropanedioic acid
    • MFCD00002668
    • ethyl-Malonic acid
    • .alpha.-Carboxybutyric acid
    • ETHYLMALONICACID
    • UNII-432NF49DFG
    • a-Carboxybutyrate
    • EINECS 210-007-2
    • alpha-Carboxybutyrate
    • NSC 96615
    • a-Carboxybutyric acid
    • 2-ethyl-malonic acid
    • 2-Ethylmalonic acid #
    • 1,1-Propanedicarboxylate
    • Ethylmalonic acid, 97%
    • bmse000578
    • Ethylmalonic acid (Standard)
    • SCHEMBL107241
    • SCHEMBL166379
    • SCHEMBL596334
    • orb1301928
    • SCHEMBL1287864
    • SCHEMBL5485937
    • CHEMBL1160009
    • AAA60175
    • BB_SC-06625
    • NSC96615
    • AC1600
    • BBL019763
    • HY-34740R
    • LMFA01170105
    • STL146459
    • AKOS005720903
    • DS-5107
    • EBC-378087
    • MSK157552-1000M
    • HY-34740
    • SY049007
    • DB-053546
    • Ethylmalonic acid, purum, >=97.0% (T)
    • CS-0022369
    • E0137
    • NS00015082
    • ST51037874
    • F239023
    • Ethylmalonic acid Solution in Methanol, 1000ug/mL
    • Q27225785
    • InChI=1/C5H8O4/c1-2-3(4(6)7)5(8)9/h3H,2H2,1H3,(H,6,7)(H,8,9
    • 601-75-2

  • Applications

    Ethylmalonic acid (CAS 601-75-2) is a branched difunctional diacid used as an organic synthesis intermediate to access substituted malonates and related compounds. With two carboxyl groups, it serves as a difunctional unit for polymerization and specialized coatings, acting as a diacid monomer for polyesters and other polymers used in coatings and inks. It is also evaluated as a pharmaceutical intermediate precursor and may function as a crosslinking agent in polymer formulations or as a property-modifying additive in coating systems. Additionally, it can act as a chelating agent or ligand for metal complexation in catalytic or processing systems, depending on formulation and conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 236.69
    methanol 332.04
    isopropanol 197.41
    water 45.97
    ethyl acetate 91.78
    n-propanol 166.51
    acetone 230.35
    n-butanol 131.52
    acetonitrile 77.42
    DMF 851.68
    toluene 6.87
    isobutanol 96.77
    1,4-dioxane 161.38
    methyl acetate 81.76
    THF 536.73
    2-butanone 106.17
    n-pentanol 90.31
    sec-butanol 111.66
    n-hexane 4.79
    ethylene glycol 173.1
    NMP 630.69
    cyclohexane 1.53
    DMSO 1066.98
    n-butyl acetate 37.47
    n-octanol 35.47
    chloroform 11.73
    n-propyl acetate 47.1
    acetic acid 245.35
    dichloromethane 18.41
    cyclohexanone 126.85
    propylene glycol 176.44
    isopropyl acetate 58.71
    DMAc 345.64
    2-ethoxyethanol 231.53
    isopentanol 97.52
    n-heptane 3.48
    ethyl formate 82.04
    1,2-dichloroethane 34.52
    n-hexanol 72.39
    2-methoxyethanol 493.73
    isobutyl acetate 19.53
    tetrachloromethane 3.11
    n-pentyl acetate 33.77
    transcutol 244.64
    n-heptanol 35.82
    ethylbenzene 5.62
    MIBK 85.56
    2-propoxyethanol 210.61
    tert-butanol 224.95
    MTBE 46.83
    2-butoxyethanol 88.59
    propionic acid 156.96
    o-xylene 9.44
    formic acid 247.25
    diethyl ether 57.66
    m-xylene 12.36
    p-xylene 6.93
    chlorobenzene 9.8
    dimethyl carbonate 62.16
    n-octane 1.65
    formamide 302.33
    cyclopentanone 283.89
    2-pentanone 137.5
    anisole 27.62
    cyclopentyl methyl ether 123.93
    gamma-butyrolactone 438.89
    1-methoxy-2-propanol 407.8
    pyridine 40.27
    3-pentanone 61.12
    furfural 216.4
    n-dodecane 1.55
    diethylene glycol 233.92
    diisopropyl ether 19.56
    tert-amyl alcohol 119.29
    acetylacetone 152.99
    n-hexadecane 1.7
    acetophenone 41.44
    methyl propionate 111.61
    isopentyl acetate 29.55
    trichloroethylene 38.68
    n-nonanol 31.33
    cyclohexanol 69.06
    benzyl alcohol 42.97
    2-ethylhexanol 28.78
    isooctanol 26.62
    dipropyl ether 28.6
    1,2-dichlorobenzene 12.3
    ethyl lactate 61.75
    propylene carbonate 149.15
    n-methylformamide 352.28
    2-pentanol 99.58
    n-pentane 4.67
    1-propoxy-2-propanol 127.41
    1-methoxy-2-propyl acetate 74.05
    2-(2-methoxypropoxy) propanol 83.85
    mesitylene 10.49
    ε-caprolactone 139.5
    p-cymene 7.5
    epichlorohydrin 269.7
    1,1,1-trichloroethane 14.83
    2-aminoethanol 224.42
    morpholine-4-carbaldehyde 362.68
    sulfolane 620.08
    2,2,4-trimethylpentane 3.03
    2-methyltetrahydrofuran 209.66
    n-hexyl acetate 49.14
    isooctane 3.49
    2-(2-butoxyethoxy)ethanol 127.17
    sec-butyl acetate 26.68
    tert-butyl acetate 75.4
    decalin 2.39
    glycerin 267.24
    diglyme 164.38
    acrylic acid 159.8
    isopropyl myristate 20.07
    n-butyric acid 152.23
    acetyl acetate 43.37
    di(2-ethylhexyl) phthalate 26.09
    ethyl propionate 53.47
    nitromethane 380.01
    1,2-diethoxyethane 49.91
    benzonitrile 27.95
    trioctyl phosphate 24.09
    1-bromopropane 16.16
    gamma-valerolactone 360.92
    n-decanol 23.79
    triethyl phosphate 20.45
    4-methyl-2-pentanol 56.34
    propionitrile 52.75
    vinylene carbonate 98.46
    1,1,2-trichlorotrifluoroethane 154.15
    DMS 41.39
    cumene 6.64
    2-octanol 24.93
    2-hexanone 57.28
    octyl acetate 29.05
    limonene 11.64
    1,2-dimethoxyethane 214.99
    ethyl orthosilicate 17.23
    tributyl phosphate 24.54
    diacetone alcohol 187.76
    N,N-dimethylaniline 27.78
    acrylonitrile 79.82
    aniline 27.66
    1,3-propanediol 255.2
    bromobenzene 5.97
    dibromomethane 12.71
    1,1,2,2-tetrachloroethane 35.71
    2-methyl-cyclohexyl acetate 27.96
    tetrabutyl urea 39.12
    diisobutyl methanol 21.73
    2-phenylethanol 41.81
    styrene 5.5
    dioctyl adipate 33.33
    dimethyl sulfate 162.42
    ethyl butyrate 31.71
    methyl lactate 140.6
    butyl lactate 45.28
    diethyl carbonate 18.75
    propanediol butyl ether 94.23
    triethyl orthoformate 21.91
    p-tert-butyltoluene 8.29
    methyl 4-tert-butylbenzoate 59.66
    morpholine 268.9
    tert-butylamine 74.14
    n-dodecanol 17.54
    dimethoxymethane 308.64
    ethylene carbonate 78.71
    cyrene 121.75
    2-ethoxyethyl acetate 50.5
    2-ethylhexyl acetate 19.86
    1,2,4-trichlorobenzene 17.39
    4-methylpyridine 49.08
    dibutyl ether 20.98
    2,6-dimethyl-4-heptanol 21.73
    DEF 163.78
    dimethyl isosorbide 145.49
    tetrachloroethylene 20.09
    eugenol 59.57
    triacetin 53.41
    span 80 75.86
    1,4-butanediol 107.56
    1,1-dichloroethane 19.41
    2-methyl-1-pentanol 63.07
    methyl formate 230.33
    2-methyl-1-butanol 77.85
    n-decane 2.45
    butyronitrile 58.54
    3,7-dimethyl-1-octanol 28.75
    1-chlorooctane 10.75
    1-chlorotetradecane 4.81
    n-nonane 2.3
    undecane 1.94
    tert-butylcyclohexane 2.92
    cyclooctane 1.22
    cyclopentanol 153.49
    tetrahydropyran 87.26
    tert-amyl methyl ether 47.17
    2,5,8-trioxanonane 136.48
    1-hexene 13.88
    2-isopropoxyethanol 126.84
    2,2,2-trifluoroethanol 111.36
    methyl butyrate 67.72

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction