Diethyl malate

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  • Identifiers

    CAS number
    7554-12-3

    Molecular formula
    C8H14O5

    SMILES
    CCOC(=O)CC(C(=O)OCC)O

  • Odor profile

    Fruity 85.55%
    Winey 64.55%
    Caramellic 54.23%
    Sweet 53.75%
    Apple 50.5%
    Green 39.65%
    Herbal 38.22%
    Ethereal 36.26%
    Buttery 35.64%
    Oily 34.13%

    Scent© AI

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    6.96 (neutral)

    Molecular weight
    190.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    242°C

    Flash point est.
    112.8 ˚C

    Solubility expt.

    • soluble in water; miscible in alcohol and oil

  • Synonyms

    • DIETHYL MALATE
    • Diethyl 2-hydroxysuccinate
    • 7554-12-3
    • Diethyl dl-malate
    • diethyl 2-hydroxybutanedioate
    • Ethyl malate
    • 626-11-9
    • 1,4-diethyl 2-hydroxybutanedioate
    • DL-Malic Acid Diethyl Ester
    • Butanedioic acid, hydroxy-, diethyl ester
    • Diethyl (1)-malate
    • Ethyl dl-malate
    • Diethyl hydroxybutanedioate
    • Diethyl hydroxybutanoate
    • Malic acid, diethyl ester
    • Butanedioic acid, 2-hydroxy-, 1,4-diethyl ester
    • DL-Apple Acid Diethyl Ester
    • FEMA No. 2374
    • CHEBI:87368
    • 59W97T99HI
    • DIETHYLMALATE
    • Butanedioic acid, hydroxy-, diethyl ester, (.+/-.)-
    • diethyl 1-malate
    • diethyl hydroxysuccinate
    • ETHYL-DL-MALATE
    • Diethyl2-hydroxysuccinate
    • MFCD02093483
    • dl-diethyl malate
    • diethyl DL malate
    • Diethyl malate #
    • 2-hydroxy-butanedioic acid diethyl ester
    • MFCD00048556
    • DL-ETHYL MALATE
    • CBDivE_005333
    • DIETHYL MALATE [FHFI]
    • SCHEMBL122314
    • UNII-59W97T99HI
    • Diethyl malate, >=97%, FG
    • CHEMBL3305989
    • Diethyl (R)-2-Hydroxysuccinate
    • DTXSID7048081
    • VKNUORWMCINMRB-UHFFFAOYSA-
    • BCP06213
    • EINECS 210-930-0
    • EINECS 231-444-5
    • AKOS016013092
    • SB44718
    • SB83869
    • AS-58764
    • SY105204
    • (R)-Hydroxy-butanedioic Acid Diethyl Ester
    • AI3-00932
    • DB-016131
    • DB-016152
    • DB-254575
    • CS-0455391
    • M0024
    • NS00012221
    • D95357
    • Hydroxy-diethyl ester(.+/-.)-Butanedioic acid
    • Q27159562
    • Butanedioic acid, hydroxy-, diethyl ester, (plusmn )-
    • InChI=1/C8H14O5/c1-3-12-7(10)5-6(9)8(11)13-4-2/h6,9H,3-5H2,1-2H3
    • 2-Hydroxybutanedioic Acid 1,4-Diethyl Ester; Hydroxybutanedioic Acid Diethyl Ester; Malic Acid Diethyl Ester; (+/-)-Diethyl Malate; Diethyl 2-Hydroxysuccinate; Diethyl Malate

  • Applications

    Diethyl malate (CAS 7554-12-3) is the diethyl ester of malic acid, widely employed as a precursor in pharmaceutical and bioactive compound synthesis, a chiral carbon-skeleton builder for L-malate-configured molecules, an intermediate for fruity flavor generation and acidity modulation in food processing, a biodegradable solvent or plasticizer component in polymers, a moisturizing and metal-chelating additive in personal-care formulations, as well as a reference standard, trans-esterification reagent in organic laboratories, and an agrochemical intermediate, thereby playing a significant role across green chemistry and sustainable technology domains.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 112.92
    methanol 222.41
    isopropanol 77.77
    water 7.05
    ethyl acetate 157.44
    n-propanol 72.1
    acetone 458.56
    n-butanol 58.45
    acetonitrile 290.0
    DMF 1571.29
    toluene 49.72
    isobutanol 57.23
    1,4-dioxane 228.75
    methyl acetate 226.4
    THF 386.43
    2-butanone 226.64
    n-pentanol 48.13
    sec-butanol 73.73
    n-hexane 8.74
    ethylene glycol 70.23
    NMP 1640.54
    cyclohexane 10.42
    DMSO 2843.66
    n-butyl acetate 104.49
    n-octanol 24.97
    chloroform 211.58
    n-propyl acetate 94.15
    acetic acid 520.02
    dichloromethane 378.08
    cyclohexanone 333.37
    propylene glycol 57.84
    isopropyl acetate 90.12
    DMAc 1484.03
    2-ethoxyethanol 187.0
    isopentanol 63.72
    n-heptane 4.32
    ethyl formate 158.37
    1,2-dichloroethane 333.21
    n-hexanol 35.14
    2-methoxyethanol 332.09
    isobutyl acetate 43.44
    tetrachloromethane 29.84
    n-pentyl acetate 49.55
    transcutol 487.62
    n-heptanol 16.87
    ethylbenzene 45.53
    MIBK 76.94
    2-propoxyethanol 117.01
    tert-butanol 142.64
    MTBE 122.48
    2-butoxyethanol 57.07
    propionic acid 201.76
    o-xylene 65.22
    formic acid 395.11
    diethyl ether 86.67
    m-xylene 40.78
    p-xylene 61.02
    chlorobenzene 116.99
    dimethyl carbonate 149.97
    n-octane 2.16
    formamide 677.93
    cyclopentanone 525.78
    2-pentanone 144.01
    anisole 148.41
    cyclopentyl methyl ether 145.72
    gamma-butyrolactone 796.47
    1-methoxy-2-propanol 187.84
    pyridine 279.67
    3-pentanone 141.98
    furfural 764.93
    n-dodecane 1.97
    diethylene glycol 146.09
    diisopropyl ether 24.53
    tert-amyl alcohol 136.99
    acetylacetone 295.99
    n-hexadecane 2.3
    acetophenone 206.99
    methyl propionate 187.48
    isopentyl acetate 91.4
    trichloroethylene 531.34
    n-nonanol 23.28
    cyclohexanol 76.67
    benzyl alcohol 121.11
    2-ethylhexanol 28.93
    isooctanol 16.34
    dipropyl ether 37.54
    1,2-dichlorobenzene 147.37
    ethyl lactate 74.13
    propylene carbonate 340.47
    n-methylformamide 522.07
    2-pentanol 41.16
    n-pentane 6.48
    1-propoxy-2-propanol 81.25
    1-methoxy-2-propyl acetate 126.99
    2-(2-methoxypropoxy) propanol 126.49
    mesitylene 27.99
    ε-caprolactone 328.79
    p-cymene 28.6
    epichlorohydrin 580.32
    1,1,1-trichloroethane 151.44
    2-aminoethanol 94.98
    morpholine-4-carbaldehyde 836.78
    sulfolane 1523.85
    2,2,4-trimethylpentane 6.95
    2-methyltetrahydrofuran 248.13
    n-hexyl acetate 78.35
    isooctane 2.89
    2-(2-butoxyethoxy)ethanol 123.6
    sec-butyl acetate 60.68
    tert-butyl acetate 115.55
    decalin 11.44
    glycerin 145.86
    diglyme 292.81
    acrylic acid 270.44
    isopropyl myristate 31.17
    n-butyric acid 169.84
    acetyl acetate 164.15
    di(2-ethylhexyl) phthalate 49.13
    ethyl propionate 103.11
    nitromethane 1244.45
    1,2-diethoxyethane 102.19
    benzonitrile 165.28
    trioctyl phosphate 29.64
    1-bromopropane 94.28
    gamma-valerolactone 723.36
    n-decanol 16.84
    triethyl phosphate 74.8
    4-methyl-2-pentanol 26.2
    propionitrile 127.59
    vinylene carbonate 320.21
    1,1,2-trichlorotrifluoroethane 484.16
    DMS 142.99
    cumene 34.01
    2-octanol 14.26
    2-hexanone 95.04
    octyl acetate 40.76
    limonene 43.1
    1,2-dimethoxyethane 360.06
    ethyl orthosilicate 58.75
    tributyl phosphate 48.85
    diacetone alcohol 150.61
    N,N-dimethylaniline 132.05
    acrylonitrile 251.48
    aniline 113.95
    1,3-propanediol 113.85
    bromobenzene 105.85
    dibromomethane 216.06
    1,1,2,2-tetrachloroethane 379.82
    2-methyl-cyclohexyl acetate 83.96
    tetrabutyl urea 75.87
    diisobutyl methanol 20.74
    2-phenylethanol 72.0
    styrene 63.98
    dioctyl adipate 71.59
    dimethyl sulfate 495.44
    ethyl butyrate 85.96
    methyl lactate 136.16
    butyl lactate 65.26
    diethyl carbonate 79.69
    propanediol butyl ether 80.9
    triethyl orthoformate 64.63
    p-tert-butyltoluene 25.01
    methyl 4-tert-butylbenzoate 120.69
    morpholine 290.3
    tert-butylamine 72.05
    n-dodecanol 12.88
    dimethoxymethane 319.31
    ethylene carbonate 224.06
    cyrene 194.57
    2-ethoxyethyl acetate 95.86
    2-ethylhexyl acetate 73.1
    1,2,4-trichlorobenzene 193.79
    4-methylpyridine 310.81
    dibutyl ether 35.78
    2,6-dimethyl-4-heptanol 20.74
    DEF 362.92
    dimethyl isosorbide 262.72
    tetrachloroethylene 244.51
    eugenol 105.39
    triacetin 143.8
    span 80 82.24
    1,4-butanediol 54.87
    1,1-dichloroethane 155.58
    2-methyl-1-pentanol 59.32
    methyl formate 397.51
    2-methyl-1-butanol 64.73
    n-decane 3.33
    butyronitrile 96.89
    3,7-dimethyl-1-octanol 32.55
    1-chlorooctane 18.64
    1-chlorotetradecane 7.96
    n-nonane 3.12
    undecane 2.48
    tert-butylcyclohexane 8.21
    cyclooctane 4.08
    cyclopentanol 110.11
    tetrahydropyran 134.74
    tert-amyl methyl ether 118.45
    2,5,8-trioxanonane 226.91
    1-hexene 27.09
    2-isopropoxyethanol 100.56
    2,2,2-trifluoroethanol 251.81
    methyl butyrate 154.24

    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

Botanical

Name CAS Botanical Proportion
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.29%