Diheptylundecyl Adipate

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  • Identifiers

    CAS number
    155613-91-5

    Molecular formula
    C42H82O4

    SMILES
    CCCCCCCCCC(CCCCCCC)COC(=O)CCCCC(=O)OCC(CCCCCCC)CCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 63.77%
    Fatty 56.07%
    Oily 53.86%
    Odorless 33.96%
    Fruity 24.68%
    Creamy 22.91%
    Sweet 21.55%
    Balsamic 21.33%
    Woody 21.25%
    Milky 20.1%

     

    Flavor
    Waxy 48.83%
    Mild 41.72%
    Fatty 40.58%
    Oily 40.51%
    Bland 36.35%
    Faint 32.35%
    Fat 26.91%
    Slightly waxy 24.83%
    Soapy 24.6%
    Odorless 24.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    17.7

    pKa est.
    9.28 (weak base)

    Molecular weight
    651.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    574°C

    Flash point

    • 252.57 ˚C est.

  • Synonyms

    • DIHEPTYLUNDECYL ADIPATE
    • 155613-91-5
    • 000BPI4XCV
    • UNII-000BPI4XCV
    • NS-218
    • Hexanedioic acid, bis(2-heptylundecyl) ester
    • Hexanedioic acid, 1,6-bis(2-heptylundecyl) ester
    • RefChem:133661
    • DIHEPTYLUNDECYL ADIPATE [INCI]
    • bis(2-heptylundecyl) hexanedioate
    • Bis(2-heptylundecyl) adipate
    • SCHEMBL295425
    • DTXSID40904619
    • ATAJZVDXFMMOFG-UHFFFAOYSA-N
    • Q27231294
    • 155613-91-5

  • Applications

    Diheptylundecyl Adipate (CAS 155613-91-5) is commonly used as a non-phthalate plasticizer for polymers and plastics, improving flexibility and processability of PVC and other resins. It may also act as a processing aid and solvent in coatings and inks, assisting film formation and extending open time. In adhesives and sealants, it can serve as a plasticizer and improve compatibility with various resin systems. In cosmetics and personal care, it may be used as an emollient or vehicle in formulations requiring low volatility and high molecular weight. It may be employed as a processing aid or solvent in industrial and household formulation applications. Some grades may be evaluated for use in electronics encapsulants or protective coatings where high-temperature stability is advantageous.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.19
    methanol 6.16
    isopropanol 9.13
    water 0.07
    ethyl acetate 106.3
    n-propanol 13.46
    acetone 70.39
    n-butanol 15.24
    acetonitrile 24.26
    DMF 80.86
    toluene 63.61
    isobutanol 14.33
    1,4-dioxane 97.5
    methyl acetate 72.98
    THF 249.6
    2-butanone 102.85
    n-pentanol 19.0
    sec-butanol 21.3
    n-hexane 15.47
    ethylene glycol 0.95
    NMP 354.07
    cyclohexane 47.95
    DMSO 101.5
    n-butyl acetate 106.85
    n-octanol 33.62
    chloroform 373.89
    n-propyl acetate 111.34
    acetic acid 39.93
    dichloromethane 347.06
    cyclohexanone 301.95
    propylene glycol 3.15
    isopropyl acetate 102.87
    DMAc 259.84
    2-ethoxyethanol 37.58
    isopentanol 20.35
    n-heptane 12.79
    ethyl formate 44.26
    1,2-dichloroethane 195.46
    n-hexanol 17.08
    2-methoxyethanol 26.71
    isobutyl acetate 79.82
    tetrachloromethane 100.06
    n-pentyl acetate 206.96
    transcutol 208.15
    n-heptanol 26.83
    ethylbenzene 45.95
    MIBK 83.03
    2-propoxyethanol 41.05
    tert-butanol 17.92
    MTBE 59.6
    2-butoxyethanol 69.23
    propionic acid 36.75
    o-xylene 60.96
    formic acid 7.48
    diethyl ether 46.5
    m-xylene 46.6
    p-xylene 71.41
    chlorobenzene 127.4
    dimethyl carbonate 43.0
    n-octane 8.75
    formamide 14.78
    cyclopentanone 289.31
    2-pentanone 95.91
    anisole 77.44
    cyclopentyl methyl ether 147.42
    gamma-butyrolactone 283.58
    1-methoxy-2-propanol 34.15
    pyridine 140.94
    3-pentanone 106.62
    furfural 203.01
    n-dodecane 4.74
    diethylene glycol 12.68
    diisopropyl ether 30.9
    tert-amyl alcohol 36.77
    acetylacetone 159.56
    n-hexadecane 5.74
    acetophenone 123.67
    methyl propionate 85.07
    isopentyl acetate 116.56
    trichloroethylene 409.44
    n-nonanol 37.63
    cyclohexanol 51.48
    benzyl alcohol 39.24
    2-ethylhexanol 27.03
    isooctanol 32.11
    dipropyl ether 60.95
    1,2-dichlorobenzene 170.05
    ethyl lactate 44.85
    propylene carbonate 184.29
    n-methylformamide 28.79
    2-pentanol 17.73
    n-pentane 8.71
    1-propoxy-2-propanol 51.65
    1-methoxy-2-propyl acetate 118.05
    2-(2-methoxypropoxy) propanol 84.17
    mesitylene 37.37
    ε-caprolactone 304.09
    p-cymene 37.98
    epichlorohydrin 270.89
    1,1,1-trichloroethane 308.58
    2-aminoethanol 3.88
    morpholine-4-carbaldehyde 181.03
    sulfolane 479.49
    2,2,4-trimethylpentane 12.26
    2-methyltetrahydrofuran 210.54
    n-hexyl acetate 180.17
    isooctane 5.27
    2-(2-butoxyethoxy)ethanol 91.14
    sec-butyl acetate 104.08
    tert-butyl acetate 145.3
    decalin 23.71
    glycerin 6.15
    diglyme 229.11
    acrylic acid 28.7
    isopropyl myristate 57.96
    n-butyric acid 76.48
    acetyl acetate 101.79
    di(2-ethylhexyl) phthalate 54.6
    ethyl propionate 112.75
    nitromethane 108.1
    1,2-diethoxyethane 126.47
    benzonitrile 65.83
    trioctyl phosphate 37.65
    1-bromopropane 110.1
    gamma-valerolactone 357.2
    n-decanol 22.98
    triethyl phosphate 89.01
    4-methyl-2-pentanol 16.01
    propionitrile 28.71
    vinylene carbonate 146.28
    1,1,2-trichlorotrifluoroethane 172.14
    DMS 102.74
    cumene 34.81
    2-octanol 30.43
    2-hexanone 111.21
    octyl acetate 70.99
    limonene 64.08
    1,2-dimethoxyethane 114.02
    ethyl orthosilicate 85.01
    tributyl phosphate 52.67
    diacetone alcohol 93.22
    N,N-dimethylaniline 64.95
    acrylonitrile 30.12
    aniline 45.39
    1,3-propanediol 8.58
    bromobenzene 169.37
    dibromomethane 215.51
    1,1,2,2-tetrachloroethane 386.76
    2-methyl-cyclohexyl acetate 128.39
    tetrabutyl urea 80.14
    diisobutyl methanol 22.73
    2-phenylethanol 37.66
    styrene 50.92
    dioctyl adipate 105.21
    dimethyl sulfate 112.85
    ethyl butyrate 123.41
    methyl lactate 37.26
    butyl lactate 105.91
    diethyl carbonate 78.92
    propanediol butyl ether 48.67
    triethyl orthoformate 118.21
    p-tert-butyltoluene 35.55
    methyl 4-tert-butylbenzoate 159.3
    morpholine 107.59
    tert-butylamine 13.92
    n-dodecanol 15.25
    dimethoxymethane 56.39
    ethylene carbonate 131.08
    cyrene 105.05
    2-ethoxyethyl acetate 208.68
    2-ethylhexyl acetate 110.25
    1,2,4-trichlorobenzene 213.96
    4-methylpyridine 139.82
    dibutyl ether 86.04
    2,6-dimethyl-4-heptanol 22.73
    DEF 139.5
    dimethyl isosorbide 207.63
    tetrachloroethylene 235.77
    eugenol 99.39
    triacetin 210.31
    span 80 78.51
    1,4-butanediol 5.89
    1,1-dichloroethane 175.0
    2-methyl-1-pentanol 28.79
    methyl formate 28.0
    2-methyl-1-butanol 23.53
    n-decane 11.66
    butyronitrile 33.41
    3,7-dimethyl-1-octanol 36.94
    1-chlorooctane 51.87
    1-chlorotetradecane 15.51
    n-nonane 11.05
    undecane 6.86
    tert-butylcyclohexane 16.72
    cyclooctane 18.11
    cyclopentanol 49.28
    tetrahydropyran 151.0
    tert-amyl methyl ether 76.2
    2,5,8-trioxanonane 127.35
    1-hexene 32.97
    2-isopropoxyethanol 38.27
    2,2,2-trifluoroethanol 30.49
    methyl butyrate 147.09

    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