Diisooctyl Adipate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    108-63-4

    Molecular formula
    C22H42O4

    SMILES
    CCCCCCC(C)OC(=O)CCCCC(=O)OC(C)CCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 71.9%
    Oily 58.99%
    Fatty 48.96%
    Winey 47.37%
    Waxy 36.09%
    Peach 31.88%
    Floral 31.81%
    Herbal 30.73%
    Green 29.69%
    Lactonic 28.74%

     

    Flavor
    Fruity 68.83%
    Oily 46.31%
    Green 44.02%
    Waxy 41.5%
    Tropical 35.61%
    Fatty 30.67%
    Soapy 29.77%
    Herbal 29.64%
    Pineapple 29.09%
    Floral 27.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.2

    pKa est.
    7.43 (neutral)

    Molecular weight
    370.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • -70 °C

    Boiling point

    • 205-220 °C @ 4 mm HG

    Flash point

    • 178.56 ˚C est.
    • 210 °C (410 °F)

  • Synonyms

    • 108-63-4
    • HEXANEDIOIC ACID, BIS(1-METHYLHEPTYL) ESTER
    • Bis(1-methylheptyl) adipate
    • 2TLQ9O0CWB
    • Adipic acid, bis(1-methylheptyl) ester
    • CASMATE DCA
    • HALLSTAR DCA
    • NSC 6197
    • NSC-6197
    • EINECS 203-601-8
    • Hexanedioic acid, 1,6-bis(1-methylheptyl) ester
    • DTXSID6026795
    • RefChem:587841
    • DTXCID706795
    • DTXSID7027388
    • DIISOOCTYL ADIPATE [INCI]
    • DTXCID401322980
    • Adipic acid, bis(1-methylheptyl) ester (8CI)
    • 203-601-8
    • 1330-86-5
    • Adipic acid, diisooctyl ester
    • ADIPOL 10A
    • DB 32 (ester)
    • Di-iso-octyl adipate
    • Diiosoctyl adipate
    • DIISOOCTYL ADIPATE
    • DIMETHYL HEPTYLADIPATE
    • EC 215-553-5
    • EINECS 215-553-5
    • Hatcol 2906
    • Hexanedioic acid, diisooctyl ester
    • HSDB 5813
    • Isooctyl adipate
    • Isooctyl alcohol, adipate (2:1)
    • PX 208
    • dioctan-2-yl hexanedioate
    • UNII-2TLQ9O0CWB
    • Di(octan-2-yl) hexanedioate
    • SCHEMBL1712497
    • NSC6197
    • RTUMJAGKSDIHOW-UHFFFAOYSA-N
    • (+/-)-BIS(1-METHYLHEPTYL) ADIPATE
    • NS00020560
    • BIS(1-METHYLHEPTYL) ADIPATE, (+/-)-
    • Q27255588
    • 108-63-4

  • Applications

    Diisooctyl Adipate (CAS 108-63-4) is a non-phthalate plasticizer primarily used to impart flexibility to PVC and other polymers, enabling softer, more flexible materials over a wide temperature range. In industrial formulations, coatings, inks, and adhesives, it acts as a processing aid and solvent component, and as an additive to improve compatibility and processability of plastic blends and rubbers. It is commonly evaluated as an alternative to phthalate plasticizers and may be used in sealants and related polymer systems where low volatility is advantageous. Use and regulatory acceptability depend on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 88.84
    methanol 86.33
    isopropanol 106.34
    water 0.11
    ethyl acetate 383.56
    n-propanol 131.37
    acetone 443.85
    n-butanol 137.67
    acetonitrile 186.46
    DMF 510.96
    toluene 224.83
    isobutanol 132.73
    1,4-dioxane 444.93
    methyl acetate 299.59
    THF 957.15
    2-butanone 451.52
    n-pentanol 135.09
    sec-butanol 166.67
    n-hexane 50.78
    ethylene glycol 7.54
    NMP 1016.75
    cyclohexane 165.12
    DMSO 579.78
    n-butyl acetate 351.84
    n-octanol 104.77
    chloroform 1364.14
    n-propyl acetate 369.19
    acetic acid 240.3
    dichloromethane 1383.9
    cyclohexanone 1121.64
    propylene glycol 22.62
    isopropyl acetate 329.57
    DMAc 941.81
    2-ethoxyethanol 198.76
    isopentanol 160.54
    n-heptane 22.49
    ethyl formate 201.37
    1,2-dichloroethane 905.07
    n-hexanol 101.91
    2-methoxyethanol 196.44
    isobutyl acetate 248.21
    tetrachloromethane 259.22
    n-pentyl acetate 445.47
    transcutol 664.97
    n-heptanol 85.72
    ethylbenzene 145.75
    MIBK 322.83
    2-propoxyethanol 208.99
    tert-butanol 171.48
    MTBE 304.32
    2-butoxyethanol 203.28
    propionic acid 187.18
    o-xylene 181.04
    formic acid 44.69
    diethyl ether 258.57
    m-xylene 136.6
    p-xylene 230.59
    chlorobenzene 448.26
    dimethyl carbonate 106.77
    n-octane 15.08
    formamide 82.63
    cyclopentanone 971.47
    2-pentanone 426.58
    anisole 255.06
    cyclopentyl methyl ether 467.71
    gamma-butyrolactone 903.64
    1-methoxy-2-propanol 191.96
    pyridine 548.87
    3-pentanone 376.79
    furfural 666.91
    n-dodecane 9.72
    diethylene glycol 85.69
    diisopropyl ether 104.44
    tert-amyl alcohol 224.63
    acetylacetone 518.69
    n-hexadecane 11.94
    acetophenone 349.02
    methyl propionate 283.95
    isopentyl acetate 348.8
    trichloroethylene 1468.45
    n-nonanol 103.69
    cyclohexanol 313.35
    benzyl alcohol 188.86
    2-ethylhexanol 102.36
    isooctanol 89.39
    dipropyl ether 173.47
    1,2-dichlorobenzene 467.25
    ethyl lactate 125.59
    propylene carbonate 534.75
    n-methylformamide 173.15
    2-pentanol 110.21
    n-pentane 30.9
    1-propoxy-2-propanol 182.45
    1-methoxy-2-propyl acetate 309.78
    2-(2-methoxypropoxy) propanol 226.33
    mesitylene 97.4
    ε-caprolactone 916.85
    p-cymene 88.23
    epichlorohydrin 945.49
    1,1,1-trichloroethane 964.86
    2-aminoethanol 33.59
    morpholine-4-carbaldehyde 618.13
    sulfolane 1213.66
    2,2,4-trimethylpentane 30.23
    2-methyltetrahydrofuran 768.91
    n-hexyl acetate 447.09
    isooctane 13.87
    2-(2-butoxyethoxy)ethanol 278.27
    sec-butyl acetate 280.84
    tert-butyl acetate 394.54
    decalin 60.33
    glycerin 38.32
    diglyme 648.9
    acrylic acid 135.47
    isopropyl myristate 140.62
    n-butyric acid 351.4
    acetyl acetate 279.95
    di(2-ethylhexyl) phthalate 135.19
    ethyl propionate 325.63
    nitromethane 484.01
    1,2-diethoxyethane 348.51
    benzonitrile 283.34
    trioctyl phosphate 95.21
    1-bromopropane 507.02
    gamma-valerolactone 1118.12
    n-decanol 66.78
    triethyl phosphate 175.05
    4-methyl-2-pentanol 80.88
    propionitrile 178.87
    vinylene carbonate 406.43
    1,1,2-trichlorotrifluoroethane 540.73
    DMS 257.89
    cumene 99.15
    2-octanol 86.89
    2-hexanone 384.3
    octyl acetate 184.33
    limonene 156.2
    1,2-dimethoxyethane 557.68
    ethyl orthosilicate 170.75
    tributyl phosphate 136.61
    diacetone alcohol 302.5
    N,N-dimethylaniline 184.77
    acrylonitrile 190.73
    aniline 197.86
    1,3-propanediol 74.04
    bromobenzene 505.59
    dibromomethane 898.13
    1,1,2,2-tetrachloroethane 1329.07
    2-methyl-cyclohexyl acetate 292.27
    tetrabutyl urea 199.6
    diisobutyl methanol 70.36
    2-phenylethanol 153.18
    styrene 183.73
    dioctyl adipate 257.47
    dimethyl sulfate 249.3
    ethyl butyrate 307.79
    methyl lactate 112.56
    butyl lactate 238.17
    diethyl carbonate 195.5
    propanediol butyl ether 163.42
    triethyl orthoformate 234.46
    p-tert-butyltoluene 77.15
    methyl 4-tert-butylbenzoate 325.52
    morpholine 572.5
    tert-butylamine 114.97
    n-dodecanol 46.16
    dimethoxymethane 255.41
    ethylene carbonate 371.38
    cyrene 261.06
    2-ethoxyethyl acetate 448.01
    2-ethylhexyl acetate 312.46
    1,2,4-trichlorobenzene 537.1
    4-methylpyridine 615.36
    dibutyl ether 231.13
    2,6-dimethyl-4-heptanol 70.36
    DEF 542.8
    dimethyl isosorbide 460.57
    tetrachloroethylene 867.29
    eugenol 234.17
    triacetin 423.73
    span 80 218.16
    1,4-butanediol 42.46
    1,1-dichloroethane 794.44
    2-methyl-1-pentanol 162.42
    methyl formate 132.39
    2-methyl-1-butanol 166.62
    n-decane 22.15
    butyronitrile 230.58
    3,7-dimethyl-1-octanol 107.62
    1-chlorooctane 127.95
    1-chlorotetradecane 37.21
    n-nonane 21.02
    undecane 13.85
    tert-butylcyclohexane 41.32
    cyclooctane 34.69
    cyclopentanol 287.47
    tetrahydropyran 698.47
    tert-amyl methyl ether 286.69
    2,5,8-trioxanonane 373.0
    1-hexene 146.6
    2-isopropoxyethanol 176.62
    2,2,2-trifluoroethanol 111.0
    methyl butyrate 473.69

    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