Malonaldehyde

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  • Identifiers

    CAS number
    542-78-9

    Molecular formula
    C3H4O2

    SMILES
    C(C=O)C=O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 76.37%
    Pungent 72.38%
    Green 66.79%
    Sharp 52.98%
    Ethereal 49.47%
    Apple 37.7%
    Fresh 35.36%
    Alliaceous 32.3%
    Nutty 31.54%
    Fermented 31.19%

     

    Flavor
    Pungent 64.18%
    Mustard 35.67%
    Almond 31.72%
    Ethereal 31.2%
    Vinegar 29.08%
    Formyl 25.93%
    Sharp 22.83%
    Soy 22.45%
    Odorless 21.95%
    Mousy 21.59%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    7.28 (neutral)

    Molecular weight
    72.06 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    166°C

    Melting point expt.

    • 72 °C
    • 161 °F

    Flash point

    • 49.3 ˚C est.

  • Synonyms

    • Propanedial
    • Malondialdehyde
    • MALONALDEHYDE
    • 542-78-9
    • Malonodialdehyde
    • Malonic aldehyde
    • Malonyldialdehyde
    • Malonic dialdehyde
    • 1,3-Propanedial
    • 1,3-Propanedione
    • 1,3-Propanedialdehyde
    • NCI-C54842
    • CHEBI:566274
    • 4Y8F71G49Q
    • DTXSID90202556
    • Malonylaldehyde
    • malonicdialdehyde
    • Malondialdehyde, Sodium
    • RefChem:155442
    • GlyTouCan:G23531GF
    • DTXCID20125047
    • G23531GF
    • MDD
    • CCRIS 5168
    • HSDB 4353
    • BRN 1209262
    • UNII-4Y8F71G49Q
    • beta-ketopropionaldehyde
    • Malondialdehyde potassium
    • Epitope ID:140943
    • SCHEMBL5908
    • MALONALDEHYDE [HSDB]
    • MALONALDEHYDE [IARC]
    • MALONDIALDEHYDE [MI]
    • SCHEMBL16287
    • SCHEMBL82941
    • 4-01-00-03634 (Beilstein Handbook Reference)
    • SCHEMBL104512
    • SCHEMBL789667
    • CHEMBL446036
    • SCHEMBL8857139
    • Malondialdehyde (~10% DCM solution)
    • DB03057
    • FM177394
    • NS00069961
    • C19440
    • EN300-7316484
    • Q418661
    • 542-78-9

  • Applications

    Chemical name: Malonaldehyde; CAS number: 542-78-9. Malonaldehyde is primarily used as an organic synthesis intermediate. It serves as a reactive dialdehyde building block for the preparation of specialty chemicals and as a precursor for functional materials in polymer chemistry. In coatings, adhesives, and plastics, it can act as a crosslinking agent or resin component that enables network formation and curing under appropriate conditions. In analytical and research settings, it is used as a reagent for aldehyde derivatization and related calibration tasks, and is often evaluated for introducing aldehyde functionality into polymer backbones. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 89.34
    methanol 193.71
    isopropanol 51.95
    water 53.17
    ethyl acetate 66.47
    n-propanol 49.47
    acetone 222.31
    n-butanol 39.61
    acetonitrile 257.02
    DMF 563.12
    toluene 12.67
    isobutanol 36.83
    1,4-dioxane 104.22
    methyl acetate 121.53
    THF 114.48
    2-butanone 104.23
    n-pentanol 29.81
    sec-butanol 37.66
    n-hexane 5.44
    ethylene glycol 73.0
    NMP 537.33
    cyclohexane 6.5
    DMSO 423.0
    n-butyl acetate 36.36
    n-octanol 22.81
    chloroform 110.42
    n-propyl acetate 46.74
    acetic acid 341.71
    dichloromethane 139.66
    cyclohexanone 110.95
    propylene glycol 51.52
    isopropyl acetate 34.95
    DMAc 476.58
    2-ethoxyethanol 86.11
    isopentanol 33.56
    n-heptane 4.95
    ethyl formate 80.88
    1,2-dichloroethane 82.94
    n-hexanol 21.72
    2-methoxyethanol 162.46
    isobutyl acetate 25.26
    tetrachloromethane 16.13
    n-pentyl acetate 25.42
    transcutol 276.75
    n-heptanol 12.65
    ethylbenzene 12.3
    MIBK 33.41
    2-propoxyethanol 60.03
    tert-butanol 61.59
    MTBE 36.55
    2-butoxyethanol 37.85
    propionic acid 129.39
    o-xylene 17.34
    formic acid 207.43
    diethyl ether 35.75
    m-xylene 11.64
    p-xylene 20.77
    chlorobenzene 35.77
    dimethyl carbonate 57.73
    n-octane 2.25
    formamide 284.65
    cyclopentanone 168.32
    2-pentanone 58.76
    anisole 44.67
    cyclopentyl methyl ether 43.28
    gamma-butyrolactone 246.77
    1-methoxy-2-propanol 94.37
    pyridine 107.08
    3-pentanone 54.7
    furfural 256.76
    n-dodecane 2.63
    diethylene glycol 87.14
    diisopropyl ether 10.94
    tert-amyl alcohol 46.96
    acetylacetone 98.91
    n-hexadecane 2.81
    acetophenone 63.65
    methyl propionate 76.54
    isopentyl acetate 31.37
    trichloroethylene 164.19
    n-nonanol 19.51
    cyclohexanol 37.08
    benzyl alcohol 41.63
    2-ethylhexanol 17.48
    isooctanol 11.84
    dipropyl ether 23.05
    1,2-dichlorobenzene 45.54
    ethyl lactate 40.01
    propylene carbonate 112.29
    n-methylformamide 258.89
    2-pentanol 23.19
    n-pentane 4.51
    1-propoxy-2-propanol 43.65
    1-methoxy-2-propyl acetate 45.56
    2-(2-methoxypropoxy) propanol 74.01
    mesitylene 9.57
    ε-caprolactone 106.14
    p-cymene 12.16
    epichlorohydrin 143.9
    1,1,1-trichloroethane 59.77
    2-aminoethanol 78.84
    morpholine-4-carbaldehyde 330.28
    sulfolane 298.88
    2,2,4-trimethylpentane 3.56
    2-methyltetrahydrofuran 76.0
    n-hexyl acetate 41.66
    isooctane 2.01
    2-(2-butoxyethoxy)ethanol 78.83
    sec-butyl acetate 25.57
    tert-butyl acetate 34.63
    decalin 5.09
    glycerin 99.28
    diglyme 159.87
    acrylic acid 172.51
    isopropyl myristate 18.25
    n-butyric acid 89.4
    acetyl acetate 62.33
    di(2-ethylhexyl) phthalate 25.08
    ethyl propionate 45.43
    nitromethane 600.32
    1,2-diethoxyethane 53.54
    benzonitrile 72.15
    trioctyl phosphate 16.34
    1-bromopropane 31.05
    gamma-valerolactone 231.07
    n-decanol 14.91
    triethyl phosphate 25.53
    4-methyl-2-pentanol 14.65
    propionitrile 94.38
    vinylene carbonate 121.94
    1,1,2-trichlorotrifluoroethane 177.14
    DMS 61.85
    cumene 12.3
    2-octanol 10.6
    2-hexanone 45.99
    octyl acetate 24.01
    limonene 17.2
    1,2-dimethoxyethane 149.09
    ethyl orthosilicate 21.54
    tributyl phosphate 24.64
    diacetone alcohol 56.28
    N,N-dimethylaniline 43.39
    acrylonitrile 160.94
    aniline 35.9
    1,3-propanediol 78.48
    bromobenzene 29.63
    dibromomethane 71.09
    1,1,2,2-tetrachloroethane 111.41
    2-methyl-cyclohexyl acetate 30.65
    tetrabutyl urea 42.54
    diisobutyl methanol 12.67
    2-phenylethanol 28.04
    styrene 18.63
    dioctyl adipate 37.77
    dimethyl sulfate 126.13
    ethyl butyrate 37.04
    methyl lactate 73.34
    butyl lactate 32.22
    diethyl carbonate 32.09
    propanediol butyl ether 58.2
    triethyl orthoformate 27.71
    p-tert-butyltoluene 11.12
    methyl 4-tert-butylbenzoate 51.68
    morpholine 124.86
    tert-butylamine 34.14
    n-dodecanol 12.03
    dimethoxymethane 110.69
    ethylene carbonate 84.88
    cyrene 77.69
    2-ethoxyethyl acetate 44.03
    2-ethylhexyl acetate 24.02
    1,2,4-trichlorobenzene 59.34
    4-methylpyridine 87.54
    dibutyl ether 26.63
    2,6-dimethyl-4-heptanol 12.67
    DEF 139.06
    dimethyl isosorbide 94.75
    tetrachloroethylene 74.36
    eugenol 53.8
    triacetin 76.37
    span 80 52.38
    1,4-butanediol 40.7
    1,1-dichloroethane 65.39
    2-methyl-1-pentanol 28.2
    methyl formate 186.57
    2-methyl-1-butanol 33.63
    n-decane 3.85
    butyronitrile 68.69
    3,7-dimethyl-1-octanol 23.44
    1-chlorooctane 13.14
    1-chlorotetradecane 6.48
    n-nonane 3.66
    undecane 3.05
    tert-butylcyclohexane 4.8
    cyclooctane 2.29
    cyclopentanol 53.02
    tetrahydropyran 56.07
    tert-amyl methyl ether 32.05
    2,5,8-trioxanonane 119.04
    1-hexene 15.08
    2-isopropoxyethanol 50.96
    2,2,2-trifluoroethanol 149.11
    methyl butyrate 67.23

    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