Diisobutyl Adipate

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  • Identifiers

    CAS number
    141-04-8

    Molecular formula
    C14H26O4

    SMILES
    CC(C)COC(=O)CCCCC(=O)OCC(C)C

  • Odor profile

    Fragrance
    Fruity 64.87%
    Winey 44.76%
    Oily 43.08%
    Fatty 41.89%
    Fermented 28.07%
    Buttery 27.76%
    Sweet 26.1%
    Apple 25.97%
    Odorless 25.92%
    Ethereal 25.24%

     

    Flavor
    Fruity 82.34%
    Sweet 65.32%
    Pineapple 52.96%
    Apple 50.96%
    Green 47.56%
    Tropical 46.26%
    Berry 43.83%
    Fruit 34.31%
    Grape 32.61%
    Banana 31.62%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.22 (weak base)

    Molecular weight
    258.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -20 °C
    • -20.00 °C. @ 760.00 mm Hg

    Boiling point

    • 278-280 °C
    • BP: 186-8 °C @ 15 mm Hg
    • 279.00 °C. @ 760.00 mm Hg

    Flash point

    • 137.43 ˚C est.

    Solubility expt.

    • Sol in most org solvents; insol in water
    • Practically insoluble or insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • DIISOBUTYL ADIPATE
    • 141-04-8
    • Bis(2-methylpropyl) hexanedioate
    • Isobutyl adipate
    • Adipic acid, diisobutyl ester
    • Ftaflex DIBA
    • Hexanedioic acid, bis(2-methylpropyl) ester
    • Plasthall DIBA
    • Hexanedioic acid, 1,6-bis(2-methylpropyl) ester
    • Diisobutyl hexanedioate
    • Adipic acid bis(2-methylpropyl) ester
    • Adipic Acid Diisobutyl Ester
    • NSC 6343
    • HSDB 345
    • Hexanedioic acid, diisobutyl ester
    • UNII-8OPY05ZY7S
    • EINECS 205-450-3
    • 8OPY05ZY7S
    • MFCD00053722
    • BRN 1791084
    • CCRIS 8265
    • CRODAMOL DIBA
    • DTXSID9036690
    • MATLUBE DIBA
    • AI3-00995
    • DUB DIBA
    • KAK DIBA
    • DBE-IB (Salt/Mix)
    • NSC-6343
    • 1,6-bis(2-methylpropyl) hexanedioate
    • AEC DIISOBUTYL ADIPATE
    • HALLTRESS DIBA SPECIAL
    • DTXCID7016690
    • FEMA NO. 4475
    • CHEBI:34708
    • DIISOBUTYL ADIPATE [HSDB]
    • 4-02-00-01962 (Beilstein Handbook Reference)
    • ADIPIC ACID DI-ISO-BUTYL ESTER
    • diisobutyladipate
    • Di-iso-butyl adipate
    • Adipic acid, bis(2-methylpropyl) ester
    • Diisobutyl adipate, 99%
    • Bis(2-methylpropyl) ester
    • SCHEMBL42941
    • BIDD:ER0364
    • Bis(2methylpropyl) hexanedioate
    • di(2-methyl-1-propyl) adipate
    • CHEMBL3184260
    • DIISOBUTYL ADIPATE [INCI]
    • NSC6343
    • Tox21_300353
    • Adipic acid bis(2methylpropyl) ester
    • LMFA07010834
    • MSK002110
    • AKOS015839639
    • Diisobutyl adipate, analytical standard
    • NCGC00248003-01
    • NCGC00254278-01
    • CAS-141-04-8
    • SY048892
    • Hexanedioic acid, bis(2methylpropyl) ester
    • 1ST002110
    • MSK002110-1000
    • A0706
    • CS-0090816
    • NS00008384
    • D97831
    • Hexanedioic acid 1,6-bis(2-methylpropyl) ester
    • 1ST002110-1000
    • Diisobutyl adipate Solution in Hexane, 1000?g/mL
    • Diisobutyl adipate Solution in Hexane, 1000mug/mL
    • Q27116236
    • 205-450-3

  • Applications

    Diisobutyl Adipate (CAS 141-04-8) is primarily used as a plasticizer for polymers such as PVC, polyurethanes, and polyesters, providing flexibility and softer films, coatings, and sheets. It also serves as a solvent and processing aid in coatings, inks, and adhesives, improving compatibility and handling in formulation. In cosmetics and personal care, it acts as an emollient and solvent, enhancing skin feel and ease of formulation in lotions, creams, and hair products. Additionally, it may be used as a solvent or carrier in fragrance formulations, depending on volatility and compatibility requirements. These roles reflect the typical uses of diisobutyl adipate in industrial and consumer products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 350.26
    methanol 390.54
    isopropanol 367.14
    water 0.84
    ethyl acetate 306.15
    n-propanol 293.78
    acetone 611.94
    n-butanol 295.95
    acetonitrile 320.2
    DMF 608.73
    toluene 185.61
    isobutanol 264.45
    1,4-dioxane 473.78
    methyl acetate 322.97
    THF 774.97
    2-butanone 441.71
    n-pentanol 286.99
    sec-butanol 331.01
    n-hexane 54.61
    ethylene glycol 44.03
    NMP 491.7
    cyclohexane 93.08
    DMSO 568.82
    n-butyl acetate 313.1
    n-octanol 184.17
    chloroform 1492.87
    n-propyl acetate 298.32
    acetic acid 481.95
    dichloromethane 1055.42
    cyclohexanone 685.89
    propylene glycol 91.24
    isopropyl acetate 258.64
    DMAc 689.48
    2-ethoxyethanol 337.52
    isopentanol 280.21
    n-heptane 23.39
    ethyl formate 308.96
    1,2-dichloroethane 617.91
    n-hexanol 242.69
    2-methoxyethanol 389.99
    isobutyl acetate 219.92
    tetrachloromethane 199.34
    n-pentyl acetate 275.29
    transcutol 512.11
    n-heptanol 154.43
    ethylbenzene 156.66
    MIBK 247.94
    2-propoxyethanol 322.29
    tert-butanol 423.86
    MTBE 365.81
    2-butoxyethanol 271.27
    propionic acid 253.93
    o-xylene 151.62
    formic acid 128.85
    diethyl ether 236.24
    m-xylene 122.97
    p-xylene 249.18
    chlorobenzene 349.25
    dimethyl carbonate 106.67
    n-octane 20.97
    formamide 146.47
    cyclopentanone 659.98
    2-pentanone 348.67
    anisole 252.72
    cyclopentyl methyl ether 283.99
    gamma-butyrolactone 641.57
    1-methoxy-2-propanol 319.72
    pyridine 475.39
    3-pentanone 237.69
    furfural 600.05
    n-dodecane 17.86
    diethylene glycol 186.66
    diisopropyl ether 90.22
    tert-amyl alcohol 368.55
    acetylacetone 411.02
    n-hexadecane 20.13
    acetophenone 304.82
    methyl propionate 223.92
    isopentyl acetate 301.47
    trichloroethylene 1184.27
    n-nonanol 164.44
    cyclohexanol 323.74
    benzyl alcohol 252.7
    2-ethylhexanol 151.8
    isooctanol 126.2
    dipropyl ether 133.63
    1,2-dichlorobenzene 338.87
    ethyl lactate 160.99
    propylene carbonate 440.07
    n-methylformamide 289.39
    2-pentanol 215.92
    n-pentane 37.61
    1-propoxy-2-propanol 249.22
    1-methoxy-2-propyl acetate 249.49
    2-(2-methoxypropoxy) propanol 216.64
    mesitylene 88.23
    ε-caprolactone 540.24
    p-cymene 90.95
    epichlorohydrin 698.28
    1,1,1-trichloroethane 718.9
    2-aminoethanol 110.8
    morpholine-4-carbaldehyde 501.74
    sulfolane 656.86
    2,2,4-trimethylpentane 29.45
    2-methyltetrahydrofuran 513.21
    n-hexyl acetate 335.58
    isooctane 17.58
    2-(2-butoxyethoxy)ethanol 281.73
    sec-butyl acetate 216.38
    tert-butyl acetate 276.91
    decalin 47.14
    glycerin 111.39
    diglyme 521.15
    acrylic acid 220.6
    isopropyl myristate 124.67
    n-butyric acid 427.82
    acetyl acetate 252.18
    di(2-ethylhexyl) phthalate 137.18
    ethyl propionate 229.94
    nitromethane 542.67
    1,2-diethoxyethane 263.08
    benzonitrile 342.27
    trioctyl phosphate 104.31
    1-bromopropane 402.61
    gamma-valerolactone 738.85
    n-decanol 114.11
    triethyl phosphate 129.36
    4-methyl-2-pentanol 133.53
    propionitrile 271.37
    vinylene carbonate 398.32
    1,1,2-trichlorotrifluoroethane 512.37
    DMS 201.57
    cumene 112.66
    2-octanol 131.28
    2-hexanone 347.83
    octyl acetate 167.03
    limonene 123.19
    1,2-dimethoxyethane 599.71
    ethyl orthosilicate 128.25
    tributyl phosphate 129.34
    diacetone alcohol 300.63
    N,N-dimethylaniline 194.49
    acrylonitrile 311.31
    aniline 191.77
    1,3-propanediol 213.14
    bromobenzene 361.21
    dibromomethane 760.4
    1,1,2,2-tetrachloroethane 1113.45
    2-methyl-cyclohexyl acetate 200.81
    tetrabutyl urea 161.44
    diisobutyl methanol 95.71
    2-phenylethanol 207.45
    styrene 183.55
    dioctyl adipate 187.39
    dimethyl sulfate 180.78
    ethyl butyrate 221.33
    methyl lactate 138.11
    butyl lactate 212.33
    diethyl carbonate 166.09
    propanediol butyl ether 256.95
    triethyl orthoformate 167.16
    p-tert-butyltoluene 85.95
    methyl 4-tert-butylbenzoate 249.52
    morpholine 525.17
    tert-butylamine 246.91
    n-dodecanol 85.06
    dimethoxymethane 285.65
    ethylene carbonate 344.5
    cyrene 234.5
    2-ethoxyethyl acetate 277.25
    2-ethylhexyl acetate 231.46
    1,2,4-trichlorobenzene 367.88
    4-methylpyridine 547.92
    dibutyl ether 181.38
    2,6-dimethyl-4-heptanol 95.71
    DEF 333.49
    dimethyl isosorbide 330.0
    tetrachloroethylene 648.68
    eugenol 234.43
    triacetin 273.05
    span 80 219.21
    1,4-butanediol 133.03
    1,1-dichloroethane 728.8
    2-methyl-1-pentanol 267.46
    methyl formate 254.32
    2-methyl-1-butanol 254.94
    n-decane 31.17
    butyronitrile 349.59
    3,7-dimethyl-1-octanol 163.52
    1-chlorooctane 136.84
    1-chlorotetradecane 53.02
    n-nonane 30.31
    undecane 22.34
    tert-butylcyclohexane 42.07
    cyclooctane 25.94
    cyclopentanol 325.66
    tetrahydropyran 530.81
    tert-amyl methyl ether 254.77
    2,5,8-trioxanonane 326.98
    1-hexene 184.74
    2-isopropoxyethanol 259.58
    2,2,2-trifluoroethanol 170.32
    methyl butyrate 367.26

    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