Ditridecyl Adipate

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  • Identifiers

    CAS number
    16958-92-2

    Molecular formula
    C32H62O4

    SMILES
    CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 62.74%
    Oily 59.7%
    Waxy 59.46%
    Odorless 35.74%
    Fruity 33.15%
    Sweet 29.62%
    Creamy 28.39%
    Winey 24.69%
    Buttery 24.18%
    Alcoholic 22.89%

     

    Flavor
    Waxy 68.65%
    Oily 53.58%
    Fatty 50.47%
    Mild 43.77%
    Soapy 41.79%
    Fruity 39.5%
    Sweet 37.52%
    Creamy 37.19%
    Coconut 35.08%
    Fat 32.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.8

    pKa est.
    8.72 (weak base)

    Molecular weight
    510.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    515°C

    Flash point

    • 238.55 ˚C est.

  • Synonyms

    • Ditridecyl adipate
    • Bis(tridecyl) adipate
    • Hexanedioic acid, ditridecyl ester
    • UNII-7CCE2L906B
    • Hexanedioic acid, 1,6-ditridecyl ester
    • 7CCE2L906B
    • CEREPLAS DTDA
    • PLASTHALL DTDA
    • EDENOL DTDA
    • EINECS 241-029-0
    • DTXSID9027786
    • EC 241-029-0
    • 1-TRIDECANOL, ADIPATE (2:1)
    • JAYFLEX DTDA
    • RefChem:135222
    • DTXCID907786
    • DITRIDECYL ADIPATE [INCI]
    • Hexanedioic acid, 1,6ditridecyl ester
    • Ditridecyl hexanedioate
    • 16958-92-2
    • Adipic acid, ditridecyl ester
    • Hexanedioic acid,1,6-ditridecyl ester
    • bis-tridecyl adipate
    • SCHEMBL28079
    • MFCD00084780
    • NS00013647
    • Q27268069
    • 241-029-0
    • 16958-92-2

  • Applications

    Ditridecyl Adipate (CAS 16958-92-2) is commonly used as a non-phthalate plasticizer for polymers, especially PVC, to impart flexibility and improve processability of flexible vinyl films, coatings and molded articles. It also serves as a plasticizer in coatings, inks, and adhesives/sealants formulations. As a processing aid, it can act as a solvent-like component or reactive diluent in polymer formulations. In cosmetics and personal care, adipate esters are used as emollients and conditioning agents, and Ditridecyl Adipate may be employed in compatible cosmetic formulations. Its use is often as a substitute for phthalate plasticizers, within the limits of applicable regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.81
    methanol 3.44
    isopropanol 2.98
    water 0.04
    ethyl acetate 36.81
    n-propanol 4.73
    acetone 28.19
    n-butanol 5.24
    acetonitrile 11.08
    DMF 44.7
    toluene 20.79
    isobutanol 4.94
    1,4-dioxane 42.49
    methyl acetate 29.41
    THF 115.83
    2-butanone 41.77
    n-pentanol 7.46
    sec-butanol 6.77
    n-hexane 5.34
    ethylene glycol 0.49
    NMP 203.16
    cyclohexane 20.88
    DMSO 66.9
    n-butyl acetate 46.19
    n-octanol 16.2
    chloroform 193.05
    n-propyl acetate 49.92
    acetic acid 17.19
    dichloromethane 189.88
    cyclohexanone 145.05
    propylene glycol 1.37
    isopropyl acetate 37.58
    DMAc 145.12
    2-ethoxyethanol 18.67
    isopentanol 7.73
    n-heptane 5.06
    ethyl formate 20.56
    1,2-dichloroethane 102.64
    n-hexanol 6.78
    2-methoxyethanol 13.31
    isobutyl acetate 33.97
    tetrachloromethane 43.46
    n-pentyl acetate 97.95
    transcutol 119.18
    n-heptanol 12.11
    ethylbenzene 19.07
    MIBK 35.0
    2-propoxyethanol 19.41
    tert-butanol 7.33
    MTBE 21.77
    2-butoxyethanol 34.84
    propionic acid 14.99
    o-xylene 24.22
    formic acid 4.09
    diethyl ether 15.36
    m-xylene 16.34
    p-xylene 31.72
    chlorobenzene 53.74
    dimethyl carbonate 15.55
    n-octane 3.9
    formamide 8.48
    cyclopentanone 134.32
    2-pentanone 36.1
    anisole 35.55
    cyclopentyl methyl ether 59.75
    gamma-butyrolactone 137.52
    1-methoxy-2-propanol 15.21
    pyridine 64.05
    3-pentanone 41.0
    furfural 116.54
    n-dodecane 2.26
    diethylene glycol 6.83
    diisopropyl ether 10.9
    tert-amyl alcohol 13.86
    acetylacetone 67.16
    n-hexadecane 2.73
    acetophenone 63.3
    methyl propionate 30.23
    isopentyl acetate 51.11
    trichloroethylene 220.22
    n-nonanol 17.99
    cyclohexanol 19.13
    benzyl alcohol 18.58
    2-ethylhexanol 12.07
    isooctanol 14.2
    dipropyl ether 26.01
    1,2-dichlorobenzene 82.52
    ethyl lactate 22.47
    propylene carbonate 88.3
    n-methylformamide 14.48
    2-pentanol 5.61
    n-pentane 2.63
    1-propoxy-2-propanol 24.49
    1-methoxy-2-propyl acetate 51.64
    2-(2-methoxypropoxy) propanol 49.35
    mesitylene 14.52
    ε-caprolactone 135.11
    p-cymene 17.26
    epichlorohydrin 135.94
    1,1,1-trichloroethane 140.63
    2-aminoethanol 1.83
    morpholine-4-carbaldehyde 97.55
    sulfolane 286.71
    2,2,4-trimethylpentane 4.34
    2-methyltetrahydrofuran 85.85
    n-hexyl acetate 89.5
    isooctane 1.97
    2-(2-butoxyethoxy)ethanol 51.28
    sec-butyl acetate 42.75
    tert-butyl acetate 61.22
    decalin 10.46
    glycerin 3.27
    diglyme 141.22
    acrylic acid 12.77
    isopropyl myristate 28.69
    n-butyric acid 29.21
    acetyl acetate 39.24
    di(2-ethylhexyl) phthalate 28.21
    ethyl propionate 46.87
    nitromethane 51.91
    1,2-diethoxyethane 62.84
    benzonitrile 33.2
    trioctyl phosphate 19.29
    1-bromopropane 46.06
    gamma-valerolactone 182.67
    n-decanol 11.02
    triethyl phosphate 47.35
    4-methyl-2-pentanol 6.16
    propionitrile 12.77
    vinylene carbonate 71.89
    1,1,2-trichlorotrifluoroethane 94.5
    DMS 44.85
    cumene 15.56
    2-octanol 13.5
    2-hexanone 49.3
    octyl acetate 35.23
    limonene 27.69
    1,2-dimethoxyethane 66.17
    ethyl orthosilicate 44.82
    tributyl phosphate 28.06
    diacetone alcohol 42.78
    N,N-dimethylaniline 32.0
    acrylonitrile 14.91
    aniline 17.08
    1,3-propanediol 3.63
    bromobenzene 72.08
    dibromomethane 108.25
    1,1,2,2-tetrachloroethane 207.54
    2-methyl-cyclohexyl acetate 64.79
    tetrabutyl urea 48.25
    diisobutyl methanol 10.54
    2-phenylethanol 17.84
    styrene 21.42
    dioctyl adipate 58.35
    dimethyl sulfate 53.05
    ethyl butyrate 57.47
    methyl lactate 15.32
    butyl lactate 52.87
    diethyl carbonate 38.02
    propanediol butyl ether 25.21
    triethyl orthoformate 58.2
    p-tert-butyltoluene 15.99
    methyl 4-tert-butylbenzoate 83.92
    morpholine 48.07
    tert-butylamine 5.81
    n-dodecanol 7.59
    dimethoxymethane 24.53
    ethylene carbonate 58.79
    cyrene 61.07
    2-ethoxyethyl acetate 94.62
    2-ethylhexyl acetate 48.62
    1,2,4-trichlorobenzene 100.69
    4-methylpyridine 60.83
    dibutyl ether 44.56
    2,6-dimethyl-4-heptanol 10.54
    DEF 60.64
    dimethyl isosorbide 123.74
    tetrachloroethylene 121.2
    eugenol 58.45
    triacetin 109.73
    span 80 43.78
    1,4-butanediol 2.72
    1,1-dichloroethane 77.08
    2-methyl-1-pentanol 11.68
    methyl formate 13.24
    2-methyl-1-butanol 8.45
    n-decane 5.44
    butyronitrile 14.93
    3,7-dimethyl-1-octanol 17.63
    1-chlorooctane 25.36
    1-chlorotetradecane 7.49
    n-nonane 5.12
    undecane 3.24
    tert-butylcyclohexane 6.86
    cyclooctane 6.6
    cyclopentanol 19.53
    tetrahydropyran 60.91
    tert-amyl methyl ether 28.43
    2,5,8-trioxanonane 82.19
    1-hexene 11.41
    2-isopropoxyethanol 17.94
    2,2,2-trifluoroethanol 13.83
    methyl butyrate 67.13

    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