Di-(2-methylbutyl)-DL-malate

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  • Identifiers

    CAS number
    253596-99-5

    Molecular formula
    C14H26O5

    SMILES
    CCC(C)COC(=O)CC(C(=O)OCC(C)CC)O

  • Odor profile

    Fragrance
    Fruity 82.93%
    Oily 52.23%
    Winey 50.96%
    Fatty 49.09%
    Buttery 36.38%
    Fermented 32.2%
    Apple 30.61%
    Herbal 29.56%
    Creamy 26.96%
    Sweet 26.77%

     

    Flavor
    Fruity 55.66%
    Waxy 34.15%
    Green 28.69%
    Sweet 26.85%
    Berry 24.3%
    Mild 23.31%
    Odorless 23.18%
    Fatty 22.32%
    Creamy 21.99%
    Oily 21.83%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.6 (neutral)

    Molecular weight
    274.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    308°C

    Flash point

    • 140.33 ˚C est.

  • Synonyms

    • 253596-99-5
    • di-(2-methylbutyl)-dl-malate
    • di(2-methyl butyl) malate
    • SCHEMBL14672440
    • PUBNFUNTZFWANY-UHFFFAOYSA-N
    • DTXSID801019985
    • bis(2-methylbutyl) 2-hydroxybutanedioate
    • NS00124514

  • Applications

    Di-(2-methylbutyl)-DL-malate is a malic acid diester commonly used as a plasticizer for PVC and other polymers to impart flexibility and processability; it also serves as a processing aid and solvent component in coatings formulations, inks, and adhesives. In cosmetics and personal care, it may be used as a solvent or emollient in formulations. Additionally, it is considered an intermediate for the synthesis of specialty esters and polymer additives. Other potential roles include solvent blends in industrial cleaning formulations; however, the use and limits depend on local regulations and formulation specifications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 750.06
    methanol 1081.86
    isopropanol 499.6
    water 1.61
    ethyl acetate 758.21
    n-propanol 485.37
    acetone 911.37
    n-butanol 392.86
    acetonitrile 460.7
    DMF 1197.25
    toluene 151.3
    isobutanol 373.04
    1,4-dioxane 601.74
    methyl acetate 725.04
    THF 1026.16
    2-butanone 717.77
    n-pentanol 320.01
    sec-butanol 515.72
    n-hexane 14.67
    ethylene glycol 118.7
    NMP 1101.99
    cyclohexane 36.33
    DMSO 1536.07
    n-butyl acetate 391.53
    n-octanol 120.72
    chloroform 853.29
    n-propyl acetate 399.6
    acetic acid 1040.28
    dichloromethane 925.44
    cyclohexanone 820.65
    propylene glycol 221.95
    isopropyl acetate 468.1
    DMAc 1444.26
    2-ethoxyethanol 713.91
    isopentanol 382.04
    n-heptane 7.04
    ethyl formate 420.51
    1,2-dichloroethane 769.85
    n-hexanol 228.14
    2-methoxyethanol 1080.25
    isobutyl acetate 216.71
    tetrachloromethane 114.54
    n-pentyl acetate 217.71
    transcutol 1564.57
    n-heptanol 120.09
    ethylbenzene 116.74
    MIBK 332.8
    2-propoxyethanol 496.73
    tert-butanol 683.42
    MTBE 456.42
    2-butoxyethanol 336.96
    propionic acid 529.11
    o-xylene 142.7
    formic acid 474.67
    diethyl ether 308.89
    m-xylene 111.2
    p-xylene 170.96
    chlorobenzene 264.28
    dimethyl carbonate 216.17
    n-octane 5.96
    formamide 868.38
    cyclopentanone 996.45
    2-pentanone 552.57
    anisole 278.6
    cyclopentyl methyl ether 429.97
    gamma-butyrolactone 1187.57
    1-methoxy-2-propanol 759.57
    pyridine 549.2
    3-pentanone 358.57
    furfural 910.0
    n-dodecane 5.23
    diethylene glycol 392.29
    diisopropyl ether 91.87
    tert-amyl alcohol 669.75
    acetylacetone 832.66
    n-hexadecane 5.98
    acetophenone 374.43
    methyl propionate 526.58
    isopentyl acetate 381.94
    trichloroethylene 1302.79
    n-nonanol 107.71
    cyclohexanol 395.79
    benzyl alcohol 296.77
    2-ethylhexanol 129.32
    isooctanol 110.65
    dipropyl ether 90.58
    1,2-dichlorobenzene 278.3
    ethyl lactate 218.66
    propylene carbonate 627.11
    n-methylformamide 664.11
    2-pentanol 300.35
    n-pentane 12.85
    1-propoxy-2-propanol 305.55
    1-methoxy-2-propyl acetate 410.58
    2-(2-methoxypropoxy) propanol 339.16
    mesitylene 74.12
    ε-caprolactone 783.4
    p-cymene 61.26
    epichlorohydrin 1261.49
    1,1,1-trichloroethane 604.01
    2-aminoethanol 322.22
    morpholine-4-carbaldehyde 951.95
    sulfolane 1369.08
    2,2,4-trimethylpentane 17.29
    2-methyltetrahydrofuran 798.84
    n-hexyl acetate 288.83
    isooctane 9.87
    2-(2-butoxyethoxy)ethanol 483.42
    sec-butyl acetate 298.51
    tert-butyl acetate 494.29
    decalin 25.64
    glycerin 310.91
    diglyme 878.71
    acrylic acid 430.82
    isopropyl myristate 91.93
    n-butyric acid 758.39
    acetyl acetate 505.54
    di(2-ethylhexyl) phthalate 116.0
    ethyl propionate 340.62
    nitromethane 1708.2
    1,2-diethoxyethane 349.45
    benzonitrile 270.64
    trioctyl phosphate 78.66
    1-bromopropane 291.32
    gamma-valerolactone 1310.52
    n-decanol 71.93
    triethyl phosphate 134.76
    4-methyl-2-pentanol 161.91
    propionitrile 288.91
    vinylene carbonate 492.69
    1,1,2-trichlorotrifluoroethane 946.41
    DMS 305.7
    cumene 84.28
    2-octanol 85.93
    2-hexanone 336.49
    octyl acetate 129.98
    limonene 94.82
    1,2-dimethoxyethane 838.08
    ethyl orthosilicate 128.21
    tributyl phosphate 108.81
    diacetone alcohol 633.38
    N,N-dimethylaniline 203.63
    acrylonitrile 373.84
    aniline 272.36
    1,3-propanediol 502.59
    bromobenzene 253.74
    dibromomethane 570.02
    1,1,2,2-tetrachloroethane 1186.26
    2-methyl-cyclohexyl acetate 223.44
    tetrabutyl urea 135.3
    diisobutyl methanol 75.08
    2-phenylethanol 243.42
    styrene 141.56
    dioctyl adipate 169.15
    dimethyl sulfate 435.04
    ethyl butyrate 248.76
    methyl lactate 303.41
    butyl lactate 236.25
    diethyl carbonate 176.36
    propanediol butyl ether 337.99
    triethyl orthoformate 158.33
    p-tert-butyltoluene 60.78
    methyl 4-tert-butylbenzoate 282.05
    morpholine 900.22
    tert-butylamine 311.17
    n-dodecanol 50.21
    dimethoxymethane 544.54
    ethylene carbonate 437.88
    cyrene 342.45
    2-ethoxyethyl acetate 378.19
    2-ethylhexyl acetate 264.86
    1,2,4-trichlorobenzene 355.95
    4-methylpyridine 565.81
    dibutyl ether 109.69
    2,6-dimethyl-4-heptanol 75.08
    DEF 680.76
    dimethyl isosorbide 515.41
    tetrachloroethylene 676.01
    eugenol 266.04
    triacetin 345.44
    span 80 256.51
    1,4-butanediol 220.96
    1,1-dichloroethane 618.01
    2-methyl-1-pentanol 334.86
    methyl formate 485.34
    2-methyl-1-butanol 373.37
    n-decane 8.77
    butyronitrile 306.08
    3,7-dimethyl-1-octanol 141.89
    1-chlorooctane 60.96
    1-chlorotetradecane 21.06
    n-nonane 8.01
    undecane 6.5
    tert-butylcyclohexane 21.49
    cyclooctane 10.59
    cyclopentanol 447.41
    tetrahydropyran 538.57
    tert-amyl methyl ether 361.05
    2,5,8-trioxanonane 539.98
    1-hexene 83.85
    2-isopropoxyethanol 459.88
    2,2,2-trifluoroethanol 419.6
    methyl butyrate 518.53

    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