Diisocetyl Adipate

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  • Identifiers

    CAS number
    59686-69-0

    Molecular formula
    C38H74O4

    SMILES
    CC(C)CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 66.3%
    Fatty 49.38%
    Oily 46.48%
    Odorless 37.71%
    Sweet 22.88%
    Woody 21.79%
    Alcoholic 21.76%
    Creamy 21.48%
    Balsamic 20.57%
    Clean 18.85%

     

    Flavor
    Waxy 54.8%
    Oily 48.65%
    Fatty 43.77%
    Mild 43.3%
    Bland 33.88%
    Faint 31.49%
    Soapy 31.17%
    Fat 28.85%
    Coconut 26.57%
    Creamy 26.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.5

    pKa est.
    9.86 (weak base)

    Molecular weight
    595.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    547°C

    Flash point

    • 258.29 ˚C est.

  • Synonyms

    • Diisocetyl adipate
    • 59686-69-0
    • EINECS 261-857-6
    • UNII-14885YC9LU
    • 14885YC9LU
    • Hexanedioic acid, diisohexadecyl ester
    • AEC DIISOCETYL ADIPATE
    • HEXANEDIOIC ACID, 1,1'-DIISOHEXADECYL ESTER
    • RefChem:134042
    • DIISOCETYL ADIPATE [INCI]
    • 261-857-6
    • 57533-90-1
    • EINECS 260-799-9
    • UNII-700593SCJB
    • Diisohexadecyl adipate
    • bis(14-methylpentadecyl) hexanedioate
    • SCHEMBL297394
    • DTXSID40975086
    • BHGAOGZUKUXCDC-UHFFFAOYSA-N
    • NS00055327
    • Q27251603
    • 57533-90-1

  • Applications

    Diisocetyl Adipate (CAS 59686-69-0) is primarily used as a plasticizer for polymers, especially PVC and other flexible resins, to improve film softness, flexibility, and processability. It also serves as an additive in coatings, varnishes, inks, and adhesives to adjust elasticity and handling properties. Its long-chain adipate structure enables it to function as a solvent or carrier in certain industrial processing applications. In cosmetics and personal care, it can act as an emollient/plasticizer in film-forming formulations. It may also serve as a precursor or intermediate for the synthesis of other adipate esters. Use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.75
    methanol 2.42
    isopropanol 2.84
    water 0.02
    ethyl acetate 31.25
    n-propanol 4.54
    acetone 22.56
    n-butanol 5.13
    acetonitrile 7.07
    DMF 30.04
    toluene 19.38
    isobutanol 4.67
    1,4-dioxane 34.59
    methyl acetate 22.19
    THF 102.47
    2-butanone 35.05
    n-pentanol 7.53
    sec-butanol 6.63
    n-hexane 5.22
    ethylene glycol 0.31
    NMP 150.69
    cyclohexane 14.91
    DMSO 40.64
    n-butyl acetate 40.57
    n-octanol 14.47
    chloroform 156.72
    n-propyl acetate 42.54
    acetic acid 13.25
    dichloromethane 141.85
    cyclohexanone 114.46
    propylene glycol 1.1
    isopropyl acetate 34.01
    DMAc 107.63
    2-ethoxyethanol 16.93
    isopentanol 7.51
    n-heptane 4.58
    ethyl formate 15.63
    1,2-dichloroethane 73.86
    n-hexanol 6.69
    2-methoxyethanol 10.86
    isobutyl acetate 32.86
    tetrachloromethane 34.08
    n-pentyl acetate 84.01
    transcutol 111.92
    n-heptanol 11.05
    ethylbenzene 17.85
    MIBK 32.41
    2-propoxyethanol 18.45
    tert-butanol 6.29
    MTBE 20.98
    2-butoxyethanol 31.47
    propionic acid 11.24
    o-xylene 20.69
    formic acid 2.63
    diethyl ether 14.42
    m-xylene 15.57
    p-xylene 27.4
    chlorobenzene 44.81
    dimethyl carbonate 11.56
    n-octane 3.26
    formamide 5.11
    cyclopentanone 111.58
    2-pentanone 31.85
    anisole 32.4
    cyclopentyl methyl ether 55.69
    gamma-butyrolactone 104.02
    1-methoxy-2-propanol 13.69
    pyridine 49.8
    3-pentanone 34.91
    furfural 82.68
    n-dodecane 1.85
    diethylene glycol 5.35
    diisopropyl ether 10.35
    tert-amyl alcohol 12.74
    acetylacetone 53.51
    n-hexadecane 2.24
    acetophenone 52.59
    methyl propionate 24.57
    isopentyl acetate 48.17
    trichloroethylene 165.08
    n-nonanol 16.72
    cyclohexanol 16.97
    benzyl alcohol 16.33
    2-ethylhexanol 11.63
    isooctanol 13.68
    dipropyl ether 25.19
    1,2-dichlorobenzene 64.94
    ethyl lactate 18.86
    propylene carbonate 67.36
    n-methylformamide 9.82
    2-pentanol 5.69
    n-pentane 2.46
    1-propoxy-2-propanol 23.79
    1-methoxy-2-propyl acetate 48.74
    2-(2-methoxypropoxy) propanol 46.23
    mesitylene 13.63
    ε-caprolactone 112.14
    p-cymene 16.25
    epichlorohydrin 109.79
    1,1,1-trichloroethane 110.6
    2-aminoethanol 1.38
    morpholine-4-carbaldehyde 72.44
    sulfolane 212.94
    2,2,4-trimethylpentane 4.31
    2-methyltetrahydrofuran 79.13
    n-hexyl acetate 76.72
    isooctane 1.99
    2-(2-butoxyethoxy)ethanol 47.98
    sec-butyl acetate 40.63
    tert-butyl acetate 56.83
    decalin 9.3
    glycerin 2.3
    diglyme 119.85
    acrylic acid 8.66
    isopropyl myristate 25.69
    n-butyric acid 25.26
    acetyl acetate 29.0
    di(2-ethylhexyl) phthalate 25.02
    ethyl propionate 40.0
    nitromethane 34.17
    1,2-diethoxyethane 56.7
    benzonitrile 25.05
    trioctyl phosphate 16.85
    1-bromopropane 39.76
    gamma-valerolactone 147.65
    n-decanol 9.96
    triethyl phosphate 39.43
    4-methyl-2-pentanol 6.32
    propionitrile 9.05
    vinylene carbonate 53.44
    1,1,2-trichlorotrifluoroethane 71.75
    DMS 35.09
    cumene 14.64
    2-octanol 12.17
    2-hexanone 46.22
    octyl acetate 30.33
    limonene 25.51
    1,2-dimethoxyethane 53.89
    ethyl orthosilicate 39.21
    tributyl phosphate 23.32
    diacetone alcohol 39.16
    N,N-dimethylaniline 28.96
    acrylonitrile 9.54
    aniline 14.92
    1,3-propanediol 3.07
    bromobenzene 58.92
    dibromomethane 83.36
    1,1,2,2-tetrachloroethane 160.48
    2-methyl-cyclohexyl acetate 60.38
    tetrabutyl urea 38.97
    diisobutyl methanol 10.01
    2-phenylethanol 16.41
    styrene 18.55
    dioctyl adipate 47.99
    dimethyl sulfate 38.21
    ethyl butyrate 51.82
    methyl lactate 12.15
    butyl lactate 46.44
    diethyl carbonate 31.32
    propanediol butyl ether 23.54
    triethyl orthoformate 53.81
    p-tert-butyltoluene 15.59
    methyl 4-tert-butylbenzoate 75.92
    morpholine 39.99
    tert-butylamine 5.06
    n-dodecanol 6.58
    dimethoxymethane 19.21
    ethylene carbonate 44.17
    cyrene 53.89
    2-ethoxyethyl acetate 83.94
    2-ethylhexyl acetate 46.18
    1,2,4-trichlorobenzene 81.44
    4-methylpyridine 49.62
    dibutyl ether 40.39
    2,6-dimethyl-4-heptanol 10.01
    DEF 46.77
    dimethyl isosorbide 115.39
    tetrachloroethylene 88.78
    eugenol 49.45
    triacetin 93.03
    span 80 40.65
    1,4-butanediol 2.17
    1,1-dichloroethane 60.96
    2-methyl-1-pentanol 11.86
    methyl formate 9.22
    2-methyl-1-butanol 8.26
    n-decane 4.68
    butyronitrile 11.55
    3,7-dimethyl-1-octanol 17.07
    1-chlorooctane 22.15
    1-chlorotetradecane 6.34
    n-nonane 4.28
    undecane 2.74
    tert-butylcyclohexane 6.67
    cyclooctane 5.4
    cyclopentanol 16.35
    tetrahydropyran 52.18
    tert-amyl methyl ether 27.91
    2,5,8-trioxanonane 67.8
    1-hexene 11.78
    2-isopropoxyethanol 16.99
    2,2,2-trifluoroethanol 9.28
    methyl butyrate 56.53

    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