Ethyl hydrogen malonate

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  • Identifiers

    CAS number
    1071-46-1

    Molecular formula
    C5H8O4

    SMILES
    CCOC(=O)CC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 67.99%
    Winey 56.36%
    Sour 51.98%
    Apple 41.15%
    Ethereal 39.28%
    Green 38.76%
    Sharp 38.65%
    Caramellic 36.41%
    Fermented 32.49%
    Pungent 29.42%

    Scent© AI

  • Properties

    XLogP3-AA
    0.3

    Molecular weight
    132.11 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    249°C

    Melting point expt.

    • 47 - 50 °C

    Flash point est.
    109.21 ˚C

  • Synonyms

    • Ethyl hydrogen malonate
    • 1071-46-1
    • 3-ethoxy-3-oxopropanoic acid
    • Monoethyl malonate
    • monoethyl malonic acid
    • mono-Ethyl malonate
    • Monoethyl hydrogen malonate
    • (Ethoxycarbonyl)acetic acid
    • malonic acid monoethyl ester
    • EINECS 213-992-7
    • MFCD00020490
    • malonic acid monoethylester
    • DTXSID10147915
    • Propanedioic acid, monoethyl ester
    • 3-ethoxy-3-oxo-propanoic acid
    • 2-(ethoxycarbonyl)acetic acid
    • 2-(2-Methylpropoxy)-5-(4-methyl-2-thiazolyl)benzonitrile; 2-Isobutoxy-5-(4-methylthiazol-2-yl)benzonitrile;
    • hydrogen ethyl malonate
    • (Ethoxycarbonyl)acetate
    • ethyl hydrogen malonoate
    • ethoxycarbonylacetic acid
    • Malonic acid ethyl ester
    • Malonic acid, ethyl ester
    • bmse000579
    • E7Y7DZ2K8W
    • SCHEMBL15376
    • malonic acid mono ethyl ester
    • 3-ethoxy-3-oxo-propionic acid
    • acetic acid, 2-ethoxycarbonyl-
    • DTXCID9070406
    • Propanedioic acid, 1-ethyl ester
    • CHEBI:193957
    • 3-(ethyloxy)-3-oxopropanoic acid
    • Propanedioic acid,?monoethyl ester
    • HY-Y1031
    • BBL011139
    • s3366
    • STK802450
    • AKOS005206705
    • AB01280
    • FE34925
    • SY003789
    • DB-040737
    • CS-0016016
    • M2700
    • NS00015105
    • EN300-41828
    • F20358
    • 3T-0050
    • F1905-6973
    • 213-992-7

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 108.7
    methanol 223.21
    isopropanol 69.54
    water 129.25
    ethyl acetate 71.26
    n-propanol 60.73
    acetone 182.15
    n-butanol 51.35
    acetonitrile 91.84
    DMF 750.74
    toluene 5.0
    isobutanol 43.86
    1,4-dioxane 175.54
    methyl acetate 96.8
    THF 283.03
    2-butanone 61.04
    n-pentanol 32.14
    sec-butanol 37.8
    n-hexane 1.92
    ethylene glycol 157.0
    NMP 632.48
    cyclohexane 1.96
    DMSO 473.12
    n-butyl acetate 25.35
    n-octanol 21.24
    chloroform 17.17
    n-propyl acetate 37.3
    acetic acid 210.86
    dichloromethane 32.22
    cyclohexanone 86.7
    propylene glycol 118.42
    isopropyl acetate 42.9
    DMAc 563.18
    2-ethoxyethanol 135.52
    isopentanol 41.76
    n-heptane 1.64
    ethyl formate 114.36
    1,2-dichloroethane 27.93
    n-hexanol 21.47
    2-methoxyethanol 351.96
    isobutyl acetate 23.22
    tetrachloromethane 3.63
    n-pentyl acetate 19.04
    transcutol 198.42
    n-heptanol 12.95
    ethylbenzene 6.06
    MIBK 41.98
    2-propoxyethanol 114.87
    tert-butanol 91.2
    MTBE 33.37
    2-butoxyethanol 49.88
    propionic acid 108.97
    o-xylene 10.05
    formic acid 230.37
    diethyl ether 30.05
    m-xylene 8.12
    p-xylene 8.51
    chlorobenzene 10.0
    dimethyl carbonate 111.69
    n-octane 0.88
    formamide 289.49
    cyclopentanone 159.66
    2-pentanone 57.32
    anisole 37.24
    cyclopentyl methyl ether 64.28
    gamma-butyrolactone 295.09
    1-methoxy-2-propanol 215.87
    pyridine 41.0
    3-pentanone 39.42
    furfural 258.52
    n-dodecane 1.46
    diethylene glycol 174.75
    diisopropyl ether 9.65
    tert-amyl alcohol 53.94
    acetylacetone 118.34
    n-hexadecane 1.58
    acetophenone 51.06
    methyl propionate 93.69
    isopentyl acetate 23.13
    trichloroethylene 38.71
    n-nonanol 19.78
    cyclohexanol 41.79
    benzyl alcohol 42.06
    2-ethylhexanol 14.89
    isooctanol 11.55
    dipropyl ether 19.57
    1,2-dichlorobenzene 16.03
    ethyl lactate 61.75
    propylene carbonate 151.01
    n-methylformamide 308.66
    2-pentanol 27.14
    n-pentane 1.85
    1-propoxy-2-propanol 62.98
    1-methoxy-2-propyl acetate 60.27
    2-(2-methoxypropoxy) propanol 94.97
    mesitylene 8.04
    ε-caprolactone 105.72
    p-cymene 7.75
    epichlorohydrin 171.78
    1,1,1-trichloroethane 17.92
    2-aminoethanol 153.9
    morpholine-4-carbaldehyde 508.02
    sulfolane 334.21
    2,2,4-trimethylpentane 1.69
    2-methyltetrahydrofuran 95.5
    n-hexyl acetate 35.65
    isooctane 1.38
    2-(2-butoxyethoxy)ethanol 104.98
    sec-butyl acetate 23.29
    tert-butyl acetate 49.66
    decalin 2.74
    glycerin 245.24
    diglyme 172.56
    acrylic acid 136.39
    isopropyl myristate 18.01
    n-butyric acid 91.5
    acetyl acetate 64.72
    di(2-ethylhexyl) phthalate 28.1
    ethyl propionate 49.64
    nitromethane 420.16
    1,2-diethoxyethane 39.21
    benzonitrile 39.8
    trioctyl phosphate 19.48
    1-bromopropane 9.87
    gamma-valerolactone 306.87
    n-decanol 15.68
    triethyl phosphate 27.69
    4-methyl-2-pentanol 18.99
    propionitrile 50.28
    vinylene carbonate 139.11
    1,1,2-trichlorotrifluoroethane 159.1
    DMS 55.83
    cumene 8.24
    2-octanol 9.78
    2-hexanone 32.73
    octyl acetate 23.73
    limonene 10.38
    1,2-dimethoxyethane 211.59
    ethyl orthosilicate 23.76
    tributyl phosphate 25.09
    diacetone alcohol 99.01
    N,N-dimethylaniline 41.22
    acrylonitrile 84.51
    aniline 25.13
    1,3-propanediol 157.32
    bromobenzene 6.29
    dibromomethane 13.49
    1,1,2,2-tetrachloroethane 36.58
    2-methyl-cyclohexyl acetate 28.75
    tetrabutyl urea 42.22
    diisobutyl methanol 11.98
    2-phenylethanol 28.71
    styrene 6.26
    dioctyl adipate 37.66
    dimethyl sulfate 199.86
    ethyl butyrate 33.3
    methyl lactate 142.98
    butyl lactate 31.66
    diethyl carbonate 30.97
    propanediol butyl ether 68.54
    triethyl orthoformate 28.12
    p-tert-butyltoluene 7.75
    methyl 4-tert-butylbenzoate 61.57
    morpholine 187.74
    tert-butylamine 37.7
    n-dodecanol 12.83
    dimethoxymethane 273.55
    ethylene carbonate 109.72
    cyrene 132.84
    2-ethoxyethyl acetate 37.16
    2-ethylhexyl acetate 16.73
    1,2,4-trichlorobenzene 21.68
    4-methylpyridine 53.41
    dibutyl ether 17.91
    2,6-dimethyl-4-heptanol 11.98
    DEF 136.86
    dimethyl isosorbide 151.12
    tetrachloroethylene 19.3
    eugenol 62.95
    triacetin 63.51
    span 80 68.42
    1,4-butanediol 65.27
    1,1-dichloroethane 18.96
    2-methyl-1-pentanol 26.9
    methyl formate 292.84
    2-methyl-1-butanol 37.3
    n-decane 1.88
    butyronitrile 47.5
    3,7-dimethyl-1-octanol 19.64
    1-chlorooctane 7.18
    1-chlorotetradecane 4.6
    n-nonane 1.57
    undecane 1.64
    tert-butylcyclohexane 2.91
    cyclooctane 1.08
    cyclopentanol 69.72
    tetrahydropyran 57.08
    tert-amyl methyl ether 30.26
    2,5,8-trioxanonane 154.21
    1-hexene 5.71
    2-isopropoxyethanol 74.96
    2,2,2-trifluoroethanol 129.78
    methyl butyrate 65.76

    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