Diisotridecyl adipate

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  • Identifiers

    CAS number
    26401-35-4

    Molecular formula
    C32H62O4

    SMILES
    CC(C)CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 56.04%
    Oily 46.77%
    Fatty 42.91%
    Odorless 38.24%
    Alcoholic 24.4%
    Sweet 23.82%
    Woody 23.4%
    Fruity 22.37%
    Creamy 21.41%
    Floral 20.88%

     

    Flavor
    Waxy 55.75%
    Oily 52.86%
    Fatty 41.71%
    Mild 41.58%
    Soapy 35.34%
    Fruity 30.13%
    Bland 29.69%
    Creamy 29.01%
    Faint 27.78%
    Coconut 26.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.3

    pKa est.
    8.82 (weak base)

    Molecular weight
    510.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    497°C

    Flash point

    • 229.8 ˚C est.

  • Synonyms

    • Diisotridecyl adipate
    • 26401-35-4
    • EINECS 247-660-8
    • Hexanedioic acid, 1,6-diisotridecyl ester
    • DTXSID6067206
    • EC 247-660-8
    • 247-660-8
    • RefChem:134096
    • DTXCID0037499
    • bis(11-methyldodecyl) hexanedioate
    • Hexanedioic acid, diisotridecyl ester
    • bis(11-methyldodecyl) adipate
    • di-isotridecyl adipate
    • SCHEMBL21831
    • WPUKZOKYKHYASK-UHFFFAOYSA-N
    • NS00001943
    • 26401-35-4

  • Applications

    Diisotridecyl adipate (CAS 26401-35-4) is a high‑molecular‑weight, non‑phthalate plasticizer used to impart flexibility to PVC and other polymers. In industrial manufacturing it serves as a plasticizer for flexible vinyl films, sheets and coatings, in formulations for adhesives and sealants to improve elongation and crack resistance, in electronics and electrical applications as a plasticizer for cables and flexible insulation, and in coatings and inks to enhance film-forming properties and adhesion.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.34
    methanol 4.06
    isopropanol 4.5
    water 0.02
    ethyl acetate 45.06
    n-propanol 6.73
    acetone 35.15
    n-butanol 7.88
    acetonitrile 11.33
    DMF 43.53
    toluene 25.83
    isobutanol 7.26
    1,4-dioxane 50.69
    methyl acetate 31.97
    THF 147.24
    2-butanone 50.72
    n-pentanol 11.53
    sec-butanol 10.0
    n-hexane 6.38
    ethylene glycol 0.46
    NMP 192.32
    cyclohexane 20.96
    DMSO 61.84
    n-butyl acetate 55.61
    n-octanol 20.88
    chloroform 221.53
    n-propyl acetate 60.29
    acetic acid 20.02
    dichloromethane 204.03
    cyclohexanone 167.54
    propylene glycol 1.67
    isopropyl acetate 49.09
    DMAc 145.3
    2-ethoxyethanol 25.84
    isopentanol 12.0
    n-heptane 5.27
    ethyl formate 22.83
    1,2-dichloroethane 110.94
    n-hexanol 9.9
    2-methoxyethanol 17.04
    isobutyl acetate 45.73
    tetrachloromethane 45.95
    n-pentyl acetate 113.13
    transcutol 165.8
    n-heptanol 16.33
    ethylbenzene 23.2
    MIBK 48.69
    2-propoxyethanol 27.39
    tert-butanol 10.65
    MTBE 30.69
    2-butoxyethanol 45.59
    propionic acid 16.31
    o-xylene 28.15
    formic acid 3.96
    diethyl ether 20.57
    m-xylene 20.99
    p-xylene 37.08
    chlorobenzene 60.29
    dimethyl carbonate 14.58
    n-octane 3.95
    formamide 7.77
    cyclopentanone 151.37
    2-pentanone 46.95
    anisole 44.8
    cyclopentyl methyl ether 72.6
    gamma-butyrolactone 135.62
    1-methoxy-2-propanol 20.95
    pyridine 68.72
    3-pentanone 47.91
    furfural 111.07
    n-dodecane 2.32
    diethylene glycol 8.48
    diisopropyl ether 14.56
    tert-amyl alcohol 19.65
    acetylacetone 78.4
    n-hexadecane 2.81
    acetophenone 71.8
    methyl propionate 33.32
    isopentyl acetate 66.14
    trichloroethylene 236.1
    n-nonanol 23.32
    cyclohexanol 26.04
    benzyl alcohol 23.7
    2-ethylhexanol 16.16
    isooctanol 20.06
    dipropyl ether 32.26
    1,2-dichlorobenzene 86.45
    ethyl lactate 26.05
    propylene carbonate 89.48
    n-methylformamide 14.32
    2-pentanol 8.46
    n-pentane 3.13
    1-propoxy-2-propanol 33.83
    1-methoxy-2-propyl acetate 66.27
    2-(2-methoxypropoxy) propanol 63.62
    mesitylene 18.3
    ε-caprolactone 150.55
    p-cymene 20.73
    epichlorohydrin 154.58
    1,1,1-trichloroethane 154.73
    2-aminoethanol 2.09
    morpholine-4-carbaldehyde 99.03
    sulfolane 273.99
    2,2,4-trimethylpentane 5.37
    2-methyltetrahydrofuran 110.0
    n-hexyl acetate 104.18
    isooctane 2.6
    2-(2-butoxyethoxy)ethanol 69.73
    sec-butyl acetate 56.09
    tert-butyl acetate 80.57
    decalin 11.65
    glycerin 3.49
    diglyme 175.84
    acrylic acid 12.48
    isopropyl myristate 34.03
    n-butyric acid 37.09
    acetyl acetate 39.92
    di(2-ethylhexyl) phthalate 32.53
    ethyl propionate 54.97
    nitromethane 51.08
    1,2-diethoxyethane 79.09
    benzonitrile 35.39
    trioctyl phosphate 22.0
    1-bromopropane 55.76
    gamma-valerolactone 202.13
    n-decanol 14.09
    triethyl phosphate 49.61
    4-methyl-2-pentanol 9.54
    propionitrile 13.21
    vinylene carbonate 69.38
    1,1,2-trichlorotrifluoroethane 98.55
    DMS 46.57
    cumene 19.24
    2-octanol 17.34
    2-hexanone 64.88
    octyl acetate 40.6
    limonene 32.72
    1,2-dimethoxyethane 80.94
    ethyl orthosilicate 50.04
    tributyl phosphate 30.57
    diacetone alcohol 58.72
    N,N-dimethylaniline 37.88
    acrylonitrile 14.18
    aniline 20.38
    1,3-propanediol 4.84
    bromobenzene 78.3
    dibromomethane 120.23
    1,1,2,2-tetrachloroethane 227.16
    2-methyl-cyclohexyl acetate 77.31
    tetrabutyl urea 50.86
    diisobutyl methanol 13.86
    2-phenylethanol 23.83
    styrene 24.96
    dioctyl adipate 65.0
    dimethyl sulfate 48.27
    ethyl butyrate 67.47
    methyl lactate 16.54
    butyl lactate 64.14
    diethyl carbonate 40.82
    propanediol butyl ether 35.03
    triethyl orthoformate 67.11
    p-tert-butyltoluene 19.12
    methyl 4-tert-butylbenzoate 98.94
    morpholine 59.53
    tert-butylamine 8.18
    n-dodecanol 9.2
    dimethoxymethane 27.72
    ethylene carbonate 58.02
    cyrene 71.39
    2-ethoxyethyl acetate 115.34
    2-ethylhexyl acetate 61.28
    1,2,4-trichlorobenzene 105.75
    4-methylpyridine 69.66
    dibutyl ether 53.74
    2,6-dimethyl-4-heptanol 13.86
    DEF 67.46
    dimethyl isosorbide 149.23
    tetrachloroethylene 128.75
    eugenol 66.12
    triacetin 123.63
    span 80 56.7
    1,4-butanediol 3.45
    1,1-dichloroethane 91.42
    2-methyl-1-pentanol 17.57
    methyl formate 12.89
    2-methyl-1-butanol 12.6
    n-decane 5.77
    butyronitrile 17.5
    3,7-dimethyl-1-octanol 24.13
    1-chlorooctane 29.23
    1-chlorotetradecane 8.29
    n-nonane 5.39
    undecane 3.39
    tert-butylcyclohexane 8.45
    cyclooctane 6.59
    cyclopentanol 24.2
    tetrahydropyran 75.27
    tert-amyl methyl ether 38.34
    2,5,8-trioxanonane 95.5
    1-hexene 15.34
    2-isopropoxyethanol 26.23
    2,2,2-trifluoroethanol 13.11
    methyl butyrate 79.91

    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