Isosorbide dicaprylate

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  • Identifiers

    CAS number
    64896-70-4

    Molecular formula
    C22H38O6

    SMILES
    CCCCCCCC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)CCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Oily 46.36%
    Fatty 45.33%
    Peach 42.06%
    Lactonic 40.64%
    Fruity 36.36%
    Buttery 33.62%
    Waxy 32.38%
    Odorless 31.11%
    Milky 28.82%
    Creamy 25.81%

     

    Flavor
    Fatty 42.33%
    Waxy 40.76%
    Oily 40.02%
    Bland 31.06%
    Mild 29.29%
    Creamy 25.86%
    Odorless 24.19%
    Coconut 22.78%
    Bay oil 22.5%
    Slightly waxy 22.42%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    7.31 (neutral)

    Molecular weight
    398.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    445°C

    Flash point

    • 208.29 ˚C est.

  • Synonyms

    • Isosorbide dicaprylate
    • Synovea DOI
    • Nikkol sorester 208
    • 64896-70-4
    • Furo(3,2-b)furan, D-glucitol deriv
    • D-Glucitol, 1,4:3,6-dianhydro-, dioctanoate
    • 0IK29C4889
    • EC 807-840-4
    • (3R,3aR,6S,6aR)-hexahydrofuro[3,2-b]furan-3,6-diyl dioctanoate
    • DTXSID60215219
    • (3R,3aR,6S,6aR)-Hexahydrofuro(3,2-b)furan-3,6-diyl dioctanoate
    • RefChem:792333
    • DTXCID10137710
    • ISOSORBIDE DICAPRYLATE [INCI]
    • 807-840-4
    • UNII-0IK29C4889
    • SCHEMBL50126
    • D-Glucitol, 1,4:3,6-dianhydro-, 2,5-dioctanoate
    • 1,4:3,6-dianhydro-2,5-di-O-octanoyl-D-glucitol
    • Q27236832
    • (3R,3aR,6S,6aR)-Hexahydrofuro[3,2-b]furan-3,6-diyl Dioctanoate;
    • 64896-70-4

  • Applications

    Isosorbide dicaprylate (CAS 64896-70-4) is a diester derived from isosorbide and caprylic acid that is commonly used in formulations as an emollient and solvent in cosmetics and personal care, providing a light, non-greasy feel while aiding ingredient dispersion. It can function as a biobased plasticizer for polymers and coatings, improving flexibility and processability of biopolymer systems and vinyl/synthetic resin formulations. It is also used as a processing aid and carrier in coatings and inks, contributing to film formation and texture. In perfumery, it may serve as a carrier or diluent for fragrance oils, helping to stabilize formulations. Additionally, it is sometimes employed as an intermediate in the synthesis of specialty polyesters and related materials in industrial manufacturing. These uses are typically formulation- and regulation-dependent, and the suitability of Isosorbide dicaprylate depends on the specific application and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 289.32
    methanol 352.32
    isopropanol 209.99
    water 6.77
    ethyl acetate 1572.75
    n-propanol 294.6
    acetone 1196.57
    n-butanol 276.97
    acetonitrile 885.81
    DMF 1211.78
    toluene 383.6
    isobutanol 244.75
    1,4-dioxane 847.83
    methyl acetate 1183.01
    THF 1810.62
    2-butanone 1046.43
    n-pentanol 244.46
    sec-butanol 286.72
    n-hexane 22.24
    ethylene glycol 62.28
    NMP 1995.47
    cyclohexane 89.73
    DMSO 1495.14
    n-butyl acetate 696.48
    n-octanol 160.49
    chloroform 3423.16
    n-propyl acetate 910.63
    acetic acid 1568.8
    dichloromethane 4289.72
    cyclohexanone 1877.41
    propylene glycol 77.68
    isopropyl acetate 995.18
    DMAc 2076.0
    2-ethoxyethanol 629.86
    isopentanol 275.54
    n-heptane 16.65
    ethyl formate 846.94
    1,2-dichloroethane 2279.28
    n-hexanol 172.04
    2-methoxyethanol 700.19
    isobutyl acetate 507.95
    tetrachloromethane 522.67
    n-pentyl acetate 778.44
    transcutol 1546.09
    n-heptanol 144.97
    ethylbenzene 188.7
    MIBK 546.28
    2-propoxyethanol 489.38
    tert-butanol 235.7
    MTBE 388.7
    2-butoxyethanol 485.4
    propionic acid 792.76
    o-xylene 265.63
    formic acid 541.56
    diethyl ether 410.42
    m-xylene 220.62
    p-xylene 279.44
    chlorobenzene 872.11
    dimethyl carbonate 607.1
    n-octane 12.45
    formamide 999.29
    cyclopentanone 1996.12
    2-pentanone 944.6
    anisole 439.57
    cyclopentyl methyl ether 732.6
    gamma-butyrolactone 2722.54
    1-methoxy-2-propanol 507.98
    pyridine 1299.41
    3-pentanone 837.37
    furfural 2033.41
    n-dodecane 11.23
    diethylene glycol 285.6
    diisopropyl ether 148.21
    tert-amyl alcohol 310.29
    acetylacetone 1474.59
    n-hexadecane 13.43
    acetophenone 702.19
    methyl propionate 1065.31
    isopentyl acetate 607.55
    trichloroethylene 4468.4
    n-nonanol 155.85
    cyclohexanol 475.39
    benzyl alcohol 399.9
    2-ethylhexanol 138.86
    isooctanol 135.64
    dipropyl ether 180.87
    1,2-dichlorobenzene 998.19
    ethyl lactate 400.83
    propylene carbonate 1706.29
    n-methylformamide 825.51
    2-pentanol 226.26
    n-pentane 22.05
    1-propoxy-2-propanol 344.87
    1-methoxy-2-propyl acetate 676.4
    2-(2-methoxypropoxy) propanol 359.74
    mesitylene 133.43
    ε-caprolactone 2025.98
    p-cymene 110.34
    epichlorohydrin 2752.91
    1,1,1-trichloroethane 1947.11
    2-aminoethanol 157.53
    morpholine-4-carbaldehyde 1522.72
    sulfolane 2473.94
    2,2,4-trimethylpentane 23.23
    2-methyltetrahydrofuran 1311.61
    n-hexyl acetate 743.87
    isooctane 10.88
    2-(2-butoxyethoxy)ethanol 491.04
    sec-butyl acetate 669.97
    tert-butyl acetate 765.19
    decalin 43.31
    glycerin 163.64
    diglyme 1275.39
    acrylic acid 742.29
    isopropyl myristate 192.63
    n-butyric acid 1331.35
    acetyl acetate 1527.81
    di(2-ethylhexyl) phthalate 205.75
    ethyl propionate 824.16
    nitromethane 2910.09
    1,2-diethoxyethane 582.68
    benzonitrile 681.22
    trioctyl phosphate 149.0
    1-bromopropane 782.89
    gamma-valerolactone 2517.99
    n-decanol 96.27
    triethyl phosphate 296.34
    4-methyl-2-pentanol 143.06
    propionitrile 565.45
    vinylene carbonate 1557.47
    1,1,2-trichlorotrifluoroethane 1736.72
    DMS 692.33
    cumene 125.43
    2-octanol 124.7
    2-hexanone 618.65
    octyl acetate 285.46
    limonene 163.13
    1,2-dimethoxyethane 901.63
    ethyl orthosilicate 266.05
    tributyl phosphate 218.85
    diacetone alcohol 603.72
    N,N-dimethylaniline 277.33
    acrylonitrile 787.1
    aniline 465.3
    1,3-propanediol 287.21
    bromobenzene 1015.54
    dibromomethane 2098.63
    1,1,2,2-tetrachloroethane 3057.02
    2-methyl-cyclohexyl acetate 391.97
    tetrabutyl urea 257.24
    diisobutyl methanol 80.63
    2-phenylethanol 288.95
    styrene 261.63
    dioctyl adipate 336.35
    dimethyl sulfate 1099.38
    ethyl butyrate 559.31
    methyl lactate 472.81
    butyl lactate 482.52
    diethyl carbonate 408.21
    propanediol butyl ether 318.54
    triethyl orthoformate 373.76
    p-tert-butyltoluene 90.26
    methyl 4-tert-butylbenzoate 524.59
    morpholine 1137.57
    tert-butylamine 130.6
    n-dodecanol 65.71
    dimethoxymethane 752.89
    ethylene carbonate 1433.49
    cyrene 468.29
    2-ethoxyethyl acetate 1042.62
    2-ethylhexyl acetate 491.87
    1,2,4-trichlorobenzene 1186.58
    4-methylpyridine 1176.57
    dibutyl ether 237.23
    2,6-dimethyl-4-heptanol 80.63
    DEF 1239.26
    dimethyl isosorbide 683.73
    tetrachloroethylene 2058.93
    eugenol 448.43
    triacetin 859.02
    span 80 295.81
    1,4-butanediol 148.78
    1,1-dichloroethane 1685.69
    2-methyl-1-pentanol 272.52
    methyl formate 677.98
    2-methyl-1-butanol 299.75
    n-decane 22.4
    butyronitrile 541.32
    3,7-dimethyl-1-octanol 153.4
    1-chlorooctane 153.7
    1-chlorotetradecane 47.47
    n-nonane 19.11
    undecane 14.84
    tert-butylcyclohexane 25.08
    cyclooctane 26.15
    cyclopentanol 530.93
    tetrahydropyran 967.15
    tert-amyl methyl ether 370.42
    2,5,8-trioxanonane 698.39
    1-hexene 110.42
    2-isopropoxyethanol 447.65
    2,2,2-trifluoroethanol 1016.47
    methyl butyrate 1153.09

    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