Butyl ethyl malonate

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  • Identifiers

    CAS number
    17373-84-1

    Molecular formula
    C9H16O4

    SMILES
    CCCCOC(=O)CC(=O)OCC

  • Odor profile

    Fragrance
    Fruity 90.46%
    Apple 69.65%
    Winey 69.08%
    Green 67.08%
    Sweet 44.82%
    Ethereal 43.61%
    Pineapple 39.63%
    Herbal 37.74%
    Fermented 36.08%
    Oily 33.27%

     

    Flavor
    Fruity 89.19%
    Green 62.79%
    Apple 61.31%
    Sweet 59.34%
    Pineapple 58.69%
    Fruit 50.56%
    Pear 44.23%
    Tropical 43.55%
    Banana 38.56%
    Grape 37.4%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.06 (neutral)

    Molecular weight
    188.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point

    • 222.00 °C. @ 760.00 mm Hg

    Flash point

    • 88.75 ˚C est.

  • Synonyms

    • Butyl ethyl malonate
    • 17373-84-1
    • Propanedioic acid, butyl ethyl ester
    • Ethyl butyl malonate
    • Butyl ethyl propanedioate
    • Malonic acid, butyl ethyl ester
    • 3-O-butyl 1-O-ethyl propanedioate
    • FEMA No. 2195
    • UNII-D4AGC486TU
    • D4AGC486TU
    • Propanedioic acid, 1-butyl 3-ethyl ester
    • 1-BUTYL 3-ETHYL PROPANEDIOATE
    • DTXSID80169649
    • BUTYL ETHYL MALONATE [FHFI]
    • butylethylmalonate
    • 1-butyl 3-ethyl malonate
    • SCHEMBL1205859
    • DTXCID2092140
    • FEMA 2195
    • CHEBI:173898
    • IHVVZSPWQJWRDV-UHFFFAOYSA-N
    • AKOS016010695
    • DB-318860
    • CS-0448276
    • Q27276085

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 429.29
    methanol 637.37
    isopropanol 273.25
    water 2.2
    ethyl acetate 296.04
    n-propanol 215.21
    acetone 945.43
    n-butanol 202.11
    acetonitrile 353.5
    DMF 1833.82
    toluene 105.5
    isobutanol 164.98
    1,4-dioxane 577.54
    methyl acetate 335.87
    THF 1311.81
    2-butanone 342.16
    n-pentanol 120.05
    sec-butanol 163.62
    n-hexane 10.09
    ethylene glycol 197.74
    NMP 1993.38
    cyclohexane 23.18
    DMSO 2135.57
    n-butyl acetate 151.02
    n-octanol 52.28
    chloroform 769.0
    n-propyl acetate 132.73
    acetic acid 1171.02
    dichloromethane 788.97
    cyclohexanone 713.4
    propylene glycol 260.89
    isopropyl acetate 189.25
    DMAc 1490.25
    2-ethoxyethanol 286.72
    isopentanol 176.25
    n-heptane 4.6
    ethyl formate 232.06
    1,2-dichloroethane 526.83
    n-hexanol 94.62
    2-methoxyethanol 756.43
    isobutyl acetate 95.67
    tetrachloromethane 63.82
    n-pentyl acetate 89.15
    transcutol 934.43
    n-heptanol 36.94
    ethylbenzene 57.38
    MIBK 178.51
    2-propoxyethanol 291.0
    tert-butanol 383.76
    MTBE 176.67
    2-butoxyethanol 125.94
    propionic acid 403.12
    o-xylene 85.11
    formic acid 425.31
    diethyl ether 132.75
    m-xylene 91.04
    p-xylene 84.19
    chlorobenzene 242.28
    dimethyl carbonate 196.57
    n-octane 2.21
    formamide 576.66
    cyclopentanone 1022.41
    2-pentanone 286.78
    anisole 176.24
    cyclopentyl methyl ether 356.84
    gamma-butyrolactone 1241.2
    1-methoxy-2-propanol 513.72
    pyridine 505.68
    3-pentanone 189.08
    furfural 1033.81
    n-dodecane 3.18
    diethylene glycol 351.44
    diisopropyl ether 40.74
    tert-amyl alcohol 232.67
    acetylacetone 594.02
    n-hexadecane 3.76
    acetophenone 222.28
    methyl propionate 292.53
    isopentyl acetate 156.68
    trichloroethylene 1117.49
    n-nonanol 48.53
    cyclohexanol 275.42
    benzyl alcohol 183.94
    2-ethylhexanol 58.82
    isooctanol 33.85
    dipropyl ether 56.27
    1,2-dichlorobenzene 249.22
    ethyl lactate 116.2
    propylene carbonate 586.53
    n-methylformamide 620.38
    2-pentanol 103.62
    n-pentane 7.66
    1-propoxy-2-propanol 190.03
    1-methoxy-2-propyl acetate 236.73
    2-(2-methoxypropoxy) propanol 234.67
    mesitylene 58.83
    ε-caprolactone 551.41
    p-cymene 39.54
    epichlorohydrin 1086.82
    1,1,1-trichloroethane 410.74
    2-aminoethanol 285.68
    morpholine-4-carbaldehyde 1123.54
    sulfolane 1780.06
    2,2,4-trimethylpentane 8.35
    2-methyltetrahydrofuran 596.1
    n-hexyl acetate 163.22
    isooctane 6.36
    2-(2-butoxyethoxy)ethanol 282.71
    sec-butyl acetate 100.18
    tert-butyl acetate 240.24
    decalin 17.49
    glycerin 392.85
    diglyme 478.56
    acrylic acid 465.36
    isopropyl myristate 58.6
    n-butyric acid 455.55
    acetyl acetate 317.64
    di(2-ethylhexyl) phthalate 95.39
    ethyl propionate 147.32
    nitromethane 1574.77
    1,2-diethoxyethane 154.56
    benzonitrile 249.72
    trioctyl phosphate 54.7
    1-bromopropane 165.37
    gamma-valerolactone 1249.04
    n-decanol 35.52
    triethyl phosphate 89.05
    4-methyl-2-pentanol 67.01
    propionitrile 194.6
    vinylene carbonate 505.6
    1,1,2-trichlorotrifluoroethane 870.78
    DMS 216.4
    cumene 45.26
    2-octanol 27.43
    2-hexanone 147.29
    octyl acetate 78.67
    limonene 63.44
    1,2-dimethoxyethane 522.59
    ethyl orthosilicate 76.01
    tributyl phosphate 84.53
    diacetone alcohol 359.82
    N,N-dimethylaniline 142.77
    acrylonitrile 325.38
    aniline 228.56
    1,3-propanediol 377.6
    bromobenzene 240.94
    dibromomethane 424.23
    1,1,2,2-tetrachloroethane 863.77
    2-methyl-cyclohexyl acetate 130.09
    tetrabutyl urea 125.67
    diisobutyl methanol 41.08
    2-phenylethanol 140.31
    styrene 80.81
    dioctyl adipate 127.66
    dimethyl sulfate 486.59
    ethyl butyrate 119.27
    methyl lactate 258.54
    butyl lactate 112.2
    diethyl carbonate 106.8
    propanediol butyl ether 194.97
    triethyl orthoformate 94.22
    p-tert-butyltoluene 39.62
    methyl 4-tert-butylbenzoate 187.85
    morpholine 768.78
    tert-butylamine 178.74
    n-dodecanol 27.12
    dimethoxymethane 531.74
    ethylene carbonate 381.47
    cyrene 287.2
    2-ethoxyethyl acetate 162.24
    2-ethylhexyl acetate 112.16
    1,2,4-trichlorobenzene 327.73
    4-methylpyridine 487.43
    dibutyl ether 62.09
    2,6-dimethyl-4-heptanol 41.08
    DEF 475.79
    dimethyl isosorbide 434.15
    tetrachloroethylene 454.49
    eugenol 179.22
    triacetin 247.27
    span 80 198.24
    1,4-butanediol 124.65
    1,1-dichloroethane 427.75
    2-methyl-1-pentanol 116.68
    methyl formate 459.0
    2-methyl-1-butanol 152.37
    n-decane 4.54
    butyronitrile 205.91
    3,7-dimethyl-1-octanol 64.1
    1-chlorooctane 29.43
    1-chlorotetradecane 14.1
    n-nonane 3.86
    undecane 3.68
    tert-butylcyclohexane 14.81
    cyclooctane 5.66
    cyclopentanol 363.73
    tetrahydropyran 434.04
    tert-amyl methyl ether 135.96
    2,5,8-trioxanonane 388.1
    1-hexene 43.32
    2-isopropoxyethanol 164.22
    2,2,2-trifluoroethanol 331.89
    methyl butyrate 215.75

    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