Diisoamyl Malate

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  • Identifiers

    CAS number
    1587-19-5

    Molecular formula
    C14H26O5

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

    Safety labels

  • Odor profile

    Fragrance
    Fruity 77.3%
    Winey 58.37%
    Oily 51.27%
    Fatty 40.33%
    Fermented 35.0%
    Herbal 34.78%
    Buttery 33.0%
    Apple 32.64%
    Sweet 30.28%
    Caramellic 28.62%

     

    Flavor
    Fruity 65.78%
    Waxy 32.14%
    Sweet 28.52%
    Green 26.96%
    Tropical 26.21%
    Mild 26.0%
    Bitter 25.99%
    Berry 24.84%
    Grape 23.7%
    Apple 23.57%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    6.19 (neutral)

    Molecular weight
    274.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    316°C

    Flash point

    • 134.97 ˚C est.

  • Synonyms

    • diisoamyl malate
    • Diisopentyl malate
    • Butanedioic acid, hydroxy-, bis(3-methylbutyl) ester
    • UNII-V3CNF0D6YT
    • Diisoamyl malate [INCI]
    • V3CNF0D6YT
    • Di(3-methylbutyl)hydroxybutanedioate
    • DTXSID90437907
    • RefChem:134029
    • DTXCID60388730
    • 1587-19-5
    • Bis(3-methylbutyl) 2-hydroxybutanedioate
    • Butanedioic acid, 2-hydroxy-, 1,4-bis(3-methylbutyl) ester
    • diisoamyl-dl-malate
    • Diisopentyl 2-hydroxysuccinate
    • SCHEMBL296699
    • 1,4-BIS(3-METHYLBUTYL) 2-HYDROXYBUTANEDIOATE
    • Q27291488
    • 1587-19-5

  • Applications

    Diisoamyl Malate (CAS 1587-19-5) may be used as a fragrance-related ester in perfumery and personal care, functioning as a fruity odorant and fragrance component; it may serve as a solvent or processing aid in cosmetic and household product formulations; in coatings and inks, it can act as a plasticizer or secondary solvent; it is sometimes employed as an intermediate in fragrance synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 367.01
    methanol 529.97
    isopropanol 207.07
    water 1.62
    ethyl acetate 237.47
    n-propanol 233.53
    acetone 373.8
    n-butanol 193.68
    acetonitrile 165.17
    DMF 697.92
    toluene 74.64
    isobutanol 165.57
    1,4-dioxane 254.03
    methyl acetate 256.37
    THF 694.67
    2-butanone 265.63
    n-pentanol 146.96
    sec-butanol 199.11
    n-hexane 11.86
    ethylene glycol 80.75
    NMP 1141.81
    cyclohexane 22.73
    DMSO 1071.32
    n-butyl acetate 206.83
    n-octanol 74.41
    chloroform 696.08
    n-propyl acetate 170.73
    acetic acid 771.08
    dichloromethane 691.03
    cyclohexanone 565.06
    propylene glycol 150.76
    isopropyl acetate 174.61
    DMAc 946.11
    2-ethoxyethanol 324.81
    isopentanol 180.37
    n-heptane 6.04
    ethyl formate 176.66
    1,2-dichloroethane 492.38
    n-hexanol 129.2
    2-methoxyethanol 576.99
    isobutyl acetate 105.09
    tetrachloromethane 81.87
    n-pentyl acetate 130.56
    transcutol 1079.53
    n-heptanol 72.26
    ethylbenzene 62.22
    MIBK 156.79
    2-propoxyethanol 293.35
    tert-butanol 294.1
    MTBE 148.12
    2-butoxyethanol 207.94
    propionic acid 347.27
    o-xylene 79.23
    formic acid 391.99
    diethyl ether 97.02
    m-xylene 67.57
    p-xylene 94.48
    chlorobenzene 168.52
    dimethyl carbonate 122.58
    n-octane 3.75
    formamide 611.69
    cyclopentanone 732.8
    2-pentanone 215.13
    anisole 140.63
    cyclopentyl methyl ether 289.98
    gamma-butyrolactone 865.54
    1-methoxy-2-propanol 404.09
    pyridine 300.9
    3-pentanone 158.1
    furfural 640.33
    n-dodecane 3.16
    diethylene glycol 249.48
    diisopropyl ether 36.69
    tert-amyl alcohol 267.47
    acetylacetone 396.99
    n-hexadecane 3.59
    acetophenone 229.66
    methyl propionate 223.4
    isopentyl acetate 208.37
    trichloroethylene 992.3
    n-nonanol 68.85
    cyclohexanol 242.98
    benzyl alcohol 170.17
    2-ethylhexanol 77.14
    isooctanol 63.7
    dipropyl ether 55.84
    1,2-dichlorobenzene 196.42
    ethyl lactate 142.11
    propylene carbonate 460.34
    n-methylformamide 389.49
    2-pentanol 129.71
    n-pentane 8.38
    1-propoxy-2-propanol 201.24
    1-methoxy-2-propyl acetate 241.37
    2-(2-methoxypropoxy) propanol 259.29
    mesitylene 45.28
    ε-caprolactone 523.29
    p-cymene 43.22
    epichlorohydrin 812.07
    1,1,1-trichloroethane 366.21
    2-aminoethanol 210.45
    morpholine-4-carbaldehyde 685.22
    sulfolane 1288.25
    2,2,4-trimethylpentane 10.28
    2-methyltetrahydrofuran 437.09
    n-hexyl acetate 185.97
    isooctane 5.97
    2-(2-butoxyethoxy)ethanol 339.81
    sec-butyl acetate 126.19
    tert-butyl acetate 215.47
    decalin 17.66
    glycerin 230.9
    diglyme 550.47
    acrylic acid 317.91
    isopropyl myristate 58.64
    n-butyric acid 418.59
    acetyl acetate 215.42
    di(2-ethylhexyl) phthalate 90.91
    ethyl propionate 145.0
    nitromethane 988.58
    1,2-diethoxyethane 172.64
    benzonitrile 156.54
    trioctyl phosphate 59.62
    1-bromopropane 169.28
    gamma-valerolactone 868.17
    n-decanol 46.38
    triethyl phosphate 99.76
    4-methyl-2-pentanol 79.3
    propionitrile 114.72
    vinylene carbonate 342.5
    1,1,2-trichlorotrifluoroethane 806.0
    DMS 199.63
    cumene 49.49
    2-octanol 48.71
    2-hexanone 152.35
    octyl acetate 84.59
    limonene 65.71
    1,2-dimethoxyethane 382.35
    ethyl orthosilicate 92.89
    tributyl phosphate 84.73
    diacetone alcohol 350.21
    N,N-dimethylaniline 125.69
    acrylonitrile 174.38
    aniline 165.67
    1,3-propanediol 281.49
    bromobenzene 156.21
    dibromomethane 426.36
    1,1,2,2-tetrachloroethane 882.32
    2-methyl-cyclohexyl acetate 163.75
    tetrabutyl urea 111.29
    diisobutyl methanol 47.97
    2-phenylethanol 151.08
    styrene 70.82
    dioctyl adipate 127.44
    dimethyl sulfate 314.11
    ethyl butyrate 136.17
    methyl lactate 190.4
    butyl lactate 169.32
    diethyl carbonate 101.32
    propanediol butyl ether 242.56
    triethyl orthoformate 103.47
    p-tert-butyltoluene 42.27
    methyl 4-tert-butylbenzoate 205.4
    morpholine 448.44
    tert-butylamine 142.34
    n-dodecanol 32.53
    dimethoxymethane 275.82
    ethylene carbonate 283.3
    cyrene 281.97
    2-ethoxyethyl acetate 207.54
    2-ethylhexyl acetate 152.79
    1,2,4-trichlorobenzene 277.11
    4-methylpyridine 315.43
    dibutyl ether 62.51
    2,6-dimethyl-4-heptanol 47.97
    DEF 318.16
    dimethyl isosorbide 463.26
    tetrachloroethylene 502.58
    eugenol 197.14
    triacetin 251.11
    span 80 215.16
    1,4-butanediol 112.83
    1,1-dichloroethane 359.84
    2-methyl-1-pentanol 148.84
    methyl formate 269.21
    2-methyl-1-butanol 172.9
    n-decane 5.41
    butyronitrile 121.09
    3,7-dimethyl-1-octanol 81.46
    1-chlorooctane 38.38
    1-chlorotetradecane 13.67
    n-nonane 4.94
    undecane 3.95
    tert-butylcyclohexane 13.88
    cyclooctane 7.35
    cyclopentanol 308.27
    tetrahydropyran 254.68
    tert-amyl methyl ether 137.77
    2,5,8-trioxanonane 391.53
    1-hexene 47.83
    2-isopropoxyethanol 202.31
    2,2,2-trifluoroethanol 325.08
    methyl butyrate 224.93

    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