Diisoamyl tartrate

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  • Identifiers

    CAS number
    608-86-6

    Molecular formula
    C14H26O6

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

  • Odor profile

    Fragrance
    Fruity 76.84%
    Winey 49.21%
    Oily 42.01%
    Buttery 34.41%
    Fatty 32.92%
    Caramellic 31.67%
    Herbal 30.48%
    Fermented 30.3%
    Odorless 28.97%
    Sweet 28.68%

     

    Flavor
    Fruity 43.51%
    Odorless 31.1%
    Waxy 27.2%
    Mild 26.27%
    Bland 25.33%
    Bitter 24.65%
    Sweet-like 22.4%
    Sweet 20.51%
    Grape skin 19.8%
    Heather 19.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    5.32 (weak acid)

    Molecular weight
    290.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    362°C

    Flash point

    • 144.53 ˚C est.

  • Synonyms

    • diisoamyl tartrate
    • Di-iso-amyl tartrate
    • tartaric acid diisopentyl ester
    • SCHEMBL1241031
    • NSC4043
    • VOBHVQRBBHSZAZ-UHFFFAOYSA-N
    • NSC-4043
    • AKOS024333528
    • 608-86-6
    • NS00054689
    • 2,3-dihydroxy-succinic acid bis-(3-methyl-butyl) ester

  • Applications

    Diisoamyl tartrate (CAS 608-86-6) is primarily used as a chiral auxiliary/ligand in asymmetric synthesis, notably in titanium-tartrate systems to enable enantioselective transformations; it serves as a reagent intermediate for accessing enantioenriched pharmaceutical and fine chemical intermediates; it can function as a solvent or co-solvent in specialized organic reactions; and it may act as a plasticizer or processing aid in specialty polymers or coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 183.75
    methanol 294.76
    isopropanol 93.23
    water 3.79
    ethyl acetate 119.08
    n-propanol 127.93
    acetone 180.46
    n-butanol 96.56
    acetonitrile 77.07
    DMF 408.61
    toluene 33.55
    isobutanol 89.87
    1,4-dioxane 117.0
    methyl acetate 147.59
    THF 341.21
    2-butanone 138.8
    n-pentanol 70.16
    sec-butanol 106.03
    n-hexane 5.66
    ethylene glycol 105.06
    NMP 1010.71
    cyclohexane 14.67
    DMSO 878.15
    n-butyl acetate 103.96
    n-octanol 37.02
    chloroform 328.29
    n-propyl acetate 72.28
    acetic acid 619.05
    dichloromethane 324.35
    cyclohexanone 320.21
    propylene glycol 156.89
    isopropyl acetate 81.91
    DMAc 570.04
    2-ethoxyethanol 191.49
    isopentanol 82.69
    n-heptane 4.82
    ethyl formate 113.48
    1,2-dichloroethane 257.61
    n-hexanol 79.06
    2-methoxyethanol 397.67
    isobutyl acetate 39.36
    tetrachloromethane 56.7
    n-pentyl acetate 69.87
    transcutol 557.39
    n-heptanol 49.18
    ethylbenzene 26.34
    MIBK 72.6
    2-propoxyethanol 196.53
    tert-butanol 138.34
    MTBE 61.13
    2-butoxyethanol 139.45
    propionic acid 309.71
    o-xylene 41.22
    formic acid 465.41
    diethyl ether 40.09
    m-xylene 30.38
    p-xylene 37.75
    chlorobenzene 86.17
    dimethyl carbonate 96.1
    n-octane 2.69
    formamide 721.93
    cyclopentanone 471.17
    2-pentanone 109.06
    anisole 56.55
    cyclopentyl methyl ether 151.55
    gamma-butyrolactone 655.47
    1-methoxy-2-propanol 243.67
    pyridine 175.94
    3-pentanone 89.37
    furfural 490.87
    n-dodecane 1.8
    diethylene glycol 209.62
    diisopropyl ether 17.56
    tert-amyl alcohol 141.08
    acetylacetone 222.28
    n-hexadecane 1.99
    acetophenone 119.58
    methyl propionate 143.49
    isopentyl acetate 100.59
    trichloroethylene 557.36
    n-nonanol 34.9
    cyclohexanol 152.54
    benzyl alcohol 104.2
    2-ethylhexanol 49.51
    isooctanol 40.67
    dipropyl ether 27.97
    1,2-dichlorobenzene 110.57
    ethyl lactate 95.02
    propylene carbonate 340.22
    n-methylformamide 314.44
    2-pentanol 65.89
    n-pentane 5.25
    1-propoxy-2-propanol 138.04
    1-methoxy-2-propyl acetate 159.85
    2-(2-methoxypropoxy) propanol 162.46
    mesitylene 23.8
    ε-caprolactone 336.97
    p-cymene 26.21
    epichlorohydrin 510.26
    1,1,1-trichloroethane 191.48
    2-aminoethanol 190.97
    morpholine-4-carbaldehyde 487.79
    sulfolane 1278.33
    2,2,4-trimethylpentane 6.57
    2-methyltetrahydrofuran 234.62
    n-hexyl acetate 92.45
    isooctane 3.36
    2-(2-butoxyethoxy)ethanol 201.98
    sec-butyl acetate 53.04
    tert-butyl acetate 114.11
    decalin 9.89
    glycerin 274.04
    diglyme 310.03
    acrylic acid 359.78
    isopropyl myristate 28.65
    n-butyric acid 286.78
    acetyl acetate 125.97
    di(2-ethylhexyl) phthalate 54.61
    ethyl propionate 68.5
    nitromethane 720.27
    1,2-diethoxyethane 80.59
    benzonitrile 80.23
    trioctyl phosphate 38.97
    1-bromopropane 79.18
    gamma-valerolactone 592.44
    n-decanol 24.43
    triethyl phosphate 61.36
    4-methyl-2-pentanol 40.23
    propionitrile 58.05
    vinylene carbonate 257.99
    1,1,2-trichlorotrifluoroethane 718.26
    DMS 141.36
    cumene 23.6
    2-octanol 28.9
    2-hexanone 65.0
    octyl acetate 44.28
    limonene 42.26
    1,2-dimethoxyethane 157.9
    ethyl orthosilicate 55.11
    tributyl phosphate 52.36
    diacetone alcohol 227.27
    N,N-dimethylaniline 56.75
    acrylonitrile 105.21
    aniline 103.1
    1,3-propanediol 212.38
    bromobenzene 75.64
    dibromomethane 204.46
    1,1,2,2-tetrachloroethane 522.61
    2-methyl-cyclohexyl acetate 91.39
    tetrabutyl urea 68.28
    diisobutyl methanol 29.91
    2-phenylethanol 100.59
    styrene 29.31
    dioctyl adipate 61.33
    dimethyl sulfate 291.72
    ethyl butyrate 68.77
    methyl lactate 185.66
    butyl lactate 114.0
    diethyl carbonate 53.83
    propanediol butyl ether 162.65
    triethyl orthoformate 57.68
    p-tert-butyltoluene 28.01
    methyl 4-tert-butylbenzoate 140.76
    morpholine 214.46
    tert-butylamine 64.09
    n-dodecanol 17.17
    dimethoxymethane 155.31
    ethylene carbonate 192.17
    cyrene 217.23
    2-ethoxyethyl acetate 118.86
    2-ethylhexyl acetate 76.67
    1,2,4-trichlorobenzene 177.51
    4-methylpyridine 144.08
    dibutyl ether 25.13
    2,6-dimethyl-4-heptanol 29.91
    DEF 181.74
    dimethyl isosorbide 299.81
    tetrachloroethylene 340.59
    eugenol 131.01
    triacetin 148.97
    span 80 143.48
    1,4-butanediol 85.03
    1,1-dichloroethane 161.23
    2-methyl-1-pentanol 69.15
    methyl formate 231.86
    2-methyl-1-butanol 92.07
    n-decane 3.03
    butyronitrile 48.62
    3,7-dimethyl-1-octanol 44.7
    1-chlorooctane 19.69
    1-chlorotetradecane 7.01
    n-nonane 2.89
    undecane 2.25
    tert-butylcyclohexane 7.38
    cyclooctane 5.08
    cyclopentanol 209.69
    tetrahydropyran 107.3
    tert-amyl methyl ether 66.63
    2,5,8-trioxanonane 225.49
    1-hexene 18.19
    2-isopropoxyethanol 114.62
    2,2,2-trifluoroethanol 368.0
    methyl butyrate 103.94

    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