Hexanedioic acid, 1-isodecyl 6-isooctyl ester

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  • Identifiers

    CAS number
    31474-57-4

    Molecular formula
    C24H46O4

    SMILES
    CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Oily 47.34%
    Fruity 38.69%
    Odorless 34.92%
    Fatty 30.96%
    Waxy 29.99%
    Herbal 28.88%
    Winey 25.66%
    Floral 25.65%
    Sweet 24.18%
    Peach 24.12%

     

    Flavor
    Fruity 58.14%
    Waxy 53.61%
    Oily 50.93%
    Green 40.13%
    Floral 37.28%
    Soapy 35.76%
    Sweet 35.04%
    Tropical 33.6%
    Mild 31.51%
    Wine 30.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.9

    pKa est.
    7.94 (neutral)

    Molecular weight
    398.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    411°C

    Flash point

    • 194.53 ˚C est.

  • Synonyms

    • Isodecyl isooctyl adipate
    • 31474-57-4
    • Hexanedioic acid, isodecyl isooctyl ester
    • EINECS 250-649-0
    • DTXSID6067626
    • Hexanedioic acid, 1-isodecyl 6-isooctyl ester
    • RefChem:786399
    • DTXCID1038373
    • 250-649-0
    • 6-Methylheptyl 8-methylnonyl adipate
    • ISOOCTYL ISODECYL ADIPATE
    • 110-28-1
    • 6-O-(6-methylheptyl) 1-O-(8-methylnonyl) hexanedioate
    • EINECS 203-753-5
    • i-octyl i-decyl adipate
    • SCHEMBL4444322
    • IHXYISPZQCLSIX-UHFFFAOYSA-N
    • Adipic acid, isodecyl isooctyl ester
    • 6-methylheptyl 8-methylnonyl hexanedioate
    • NS00029107
    • 31474-57-4

  • Applications

    Hexanedioic acid, 1-isodecyl 6-isooctyl ester (CAS 31474-57-4) is an adipate diester with two bulky alkyl groups (isodecyl and iso-octyl). In industry, it is primarily used as a plasticizer for PVC and other flexible polymers to impart softness and processability. It is also used as a solvent and carrier in coatings, paints, and inks. In cosmetics and personal care, adipate esters of this type are employed as emollients and skin-conditioning agents in creams and lotions. Additionally, it can serve as an intermediate or processing aid in adhesives and sealants, and may act as a lubricant or processing fluid in industrial manufacturing, depending on formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.51
    methanol 18.17
    isopropanol 20.18
    water 0.04
    ethyl acetate 99.52
    n-propanol 26.3
    acetone 100.65
    n-butanol 29.7
    acetonitrile 35.99
    DMF 109.27
    toluene 56.5
    isobutanol 27.7
    1,4-dioxane 120.13
    methyl acetate 74.81
    THF 327.14
    2-butanone 124.74
    n-pentanol 36.27
    sec-butanol 35.8
    n-hexane 10.39
    ethylene glycol 1.56
    NMP 306.63
    cyclohexane 35.49
    DMSO 177.13
    n-butyl acetate 113.32
    n-octanol 42.97
    chloroform 459.84
    n-propyl acetate 124.35
    acetic acid 63.41
    dichloromethane 437.41
    cyclohexanone 346.14
    propylene glycol 5.84
    isopropyl acetate 99.12
    DMAc 294.62
    2-ethoxyethanol 76.54
    isopentanol 40.19
    n-heptane 6.62
    ethyl formate 55.34
    1,2-dichloroethane 253.93
    n-hexanol 29.43
    2-methoxyethanol 56.39
    isobutyl acetate 89.66
    tetrachloromethane 84.51
    n-pentyl acetate 183.02
    transcutol 349.05
    n-heptanol 35.82
    ethylbenzene 44.14
    MIBK 108.06
    2-propoxyethanol 74.85
    tert-butanol 42.03
    MTBE 76.25
    2-butoxyethanol 96.42
    propionic acid 46.31
    o-xylene 54.93
    formic acid 12.39
    diethyl ether 52.13
    m-xylene 42.53
    p-xylene 71.89
    chlorobenzene 119.96
    dimethyl carbonate 26.56
    n-octane 4.98
    formamide 24.07
    cyclopentanone 302.67
    2-pentanone 114.04
    anisole 88.36
    cyclopentyl methyl ether 134.54
    gamma-butyrolactone 257.47
    1-methoxy-2-propanol 62.24
    pyridine 150.37
    3-pentanone 97.67
    furfural 213.48
    n-dodecane 3.37
    diethylene glycol 27.42
    diisopropyl ether 28.6
    tert-amyl alcohol 60.35
    acetylacetone 162.53
    n-hexadecane 4.1
    acetophenone 132.82
    methyl propionate 70.16
    isopentyl acetate 126.38
    trichloroethylene 480.13
    n-nonanol 43.7
    cyclohexanol 74.31
    benzyl alcohol 61.31
    2-ethylhexanol 35.5
    isooctanol 39.93
    dipropyl ether 53.23
    1,2-dichlorobenzene 149.35
    ethyl lactate 50.85
    propylene carbonate 158.79
    n-methylformamide 39.61
    2-pentanol 26.11
    n-pentane 5.58
    1-propoxy-2-propanol 74.8
    1-methoxy-2-propyl acetate 119.52
    2-(2-methoxypropoxy) propanol 111.71
    mesitylene 32.81
    ε-caprolactone 291.05
    p-cymene 33.7
    epichlorohydrin 321.83
    1,1,1-trichloroethane 298.75
    2-aminoethanol 7.62
    morpholine-4-carbaldehyde 194.93
    sulfolane 449.47
    2,2,4-trimethylpentane 8.77
    2-methyltetrahydrofuran 230.91
    n-hexyl acetate 178.5
    isooctane 4.29
    2-(2-butoxyethoxy)ethanol 137.69
    sec-butyl acetate 103.1
    tert-butyl acetate 146.01
    decalin 17.12
    glycerin 10.85
    diglyme 321.14
    acrylic acid 33.51
    isopropyl myristate 54.64
    n-butyric acid 97.85
    acetyl acetate 78.26
    di(2-ethylhexyl) phthalate 55.41
    ethyl propionate 101.96
    nitromethane 133.73
    1,2-diethoxyethane 140.91
    benzonitrile 81.32
    trioctyl phosphate 37.13
    1-bromopropane 125.57
    gamma-valerolactone 384.02
    n-decanol 27.5
    triethyl phosphate 70.51
    4-methyl-2-pentanol 24.78
    propionitrile 37.09
    vinylene carbonate 124.83
    1,1,2-trichlorotrifluoroethane 203.7
    DMS 84.12
    cumene 33.81
    2-octanol 34.34
    2-hexanone 134.93
    octyl acetate 70.18
    limonene 53.41
    1,2-dimethoxyethane 196.96
    ethyl orthosilicate 73.19
    tributyl phosphate 51.91
    diacetone alcohol 123.95
    N,N-dimethylaniline 67.75
    acrylonitrile 39.38
    aniline 49.64
    1,3-propanediol 18.42
    bromobenzene 144.66
    dibromomethane 270.4
    1,1,2,2-tetrachloroethane 438.57
    2-methyl-cyclohexyl acetate 120.05
    tetrabutyl urea 80.37
    diisobutyl methanol 27.29
    2-phenylethanol 57.36
    styrene 51.34
    dioctyl adipate 102.1
    dimethyl sulfate 78.25
    ethyl butyrate 107.68
    methyl lactate 34.61
    butyl lactate 107.97
    diethyl carbonate 66.19
    propanediol butyl ether 79.1
    triethyl orthoformate 95.42
    p-tert-butyltoluene 30.2
    methyl 4-tert-butylbenzoate 144.4
    morpholine 159.3
    tert-butylamine 27.04
    n-dodecanol 18.24
    dimethoxymethane 69.09
    ethylene carbonate 107.29
    cyrene 123.96
    2-ethoxyethyl acetate 196.93
    2-ethylhexyl acetate 110.89
    1,2,4-trichlorobenzene 181.39
    4-methylpyridine 159.01
    dibutyl ether 84.46
    2,6-dimethyl-4-heptanol 27.29
    DEF 141.29
    dimethyl isosorbide 225.64
    tetrachloroethylene 265.02
    eugenol 112.5
    triacetin 182.75
    span 80 102.63
    1,4-butanediol 11.89
    1,1-dichloroethane 218.07
    2-methyl-1-pentanol 48.95
    methyl formate 31.78
    2-methyl-1-butanol 39.88
    n-decane 7.83
    butyronitrile 51.34
    3,7-dimethyl-1-octanol 46.17
    1-chlorooctane 46.09
    1-chlorotetradecane 12.93
    n-nonane 7.18
    undecane 4.8
    tert-butylcyclohexane 12.95
    cyclooctane 8.76
    cyclopentanol 68.05
    tetrahydropyran 176.91
    tert-amyl methyl ether 80.16
    2,5,8-trioxanonane 176.5
    1-hexene 32.17
    2-isopropoxyethanol 71.61
    2,2,2-trifluoroethanol 32.04
    methyl butyrate 151.53

    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