Butanedioic acid, 1,4-diisooctyl ester

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  • Identifiers

    CAS number
    28880-24-2

    Molecular formula
    C20H38O4

    SMILES
    CC(C)CCCCCOC(=O)CCC(=O)OCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Oily 47.02%
    Fruity 45.75%
    Herbal 38.45%
    Odorless 32.58%
    Winey 30.8%
    Floral 29.11%
    Fatty 26.87%
    Waxy 26.44%
    Sweet 26.34%
    Peach 24.73%

     

    Flavor
    Fruity 62.02%
    Waxy 51.85%
    Green 48.01%
    Oily 46.75%
    Sweet 37.64%
    Tropical 37.2%
    Floral 36.52%
    Apple 33.82%
    Soapy 33.19%
    Pear 31.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.6

    pKa est.
    7.31 (neutral)

    Molecular weight
    342.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    364°C

    Flash point

    • 173.02 ˚C est.

  • Synonyms

    • Diisooctyl succinate
    • Butanedioic acid, diisooctyl ester
    • Butanedioic acid, 1,4-diisooctyl ester
    • EINECS 249-282-9
    • DTXSID0067420
    • RefChem:122010
    • DTXCID3037888
    • 249-282-9
    • 28880-24-2
    • bis(6-methylheptyl) butanedioate
    • Butanedioic acid,1,4-diisooctyl ester
    • SCHEMBL54169
    • MQKXWEJVDDRQKK-UHFFFAOYSA-N
    • NS00028568
    • 28880-24-2

  • Applications

    Butanedioic acid, 1,4-diisooctyl ester (CAS number: 28880-24-2) is primarily used as a plasticizer for PVC and other polymers to improve flexibility and processability; it is also employed as a plasticizer additive in coatings, inks, and adhesive formulations to enhance elongation and low-temperature performance; in cosmetics and personal care it can serve as an emollient and solvent; in industrial manufacturing it acts as a processing aid or intermediate for specialty polymers and resins, including elastomeric or polyurethane systems; and it may function as a co-plasticizer or solvent in formulated household products where compatibility with hydrophobic ingredients is desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 46.63
    methanol 44.34
    isopropanol 44.67
    water 0.07
    ethyl acetate 322.12
    n-propanol 55.82
    acetone 241.08
    n-butanol 56.37
    acetonitrile 111.05
    DMF 440.18
    toluene 166.28
    isobutanol 54.46
    1,4-dioxane 238.5
    methyl acetate 278.75
    THF 702.14
    2-butanone 309.17
    n-pentanol 64.22
    sec-butanol 73.59
    n-hexane 17.62
    ethylene glycol 4.85
    NMP 1087.28
    cyclohexane 35.56
    DMSO 520.04
    n-butyl acetate 313.3
    n-octanol 60.85
    chloroform 1306.34
    n-propyl acetate 369.84
    acetic acid 158.46
    dichloromethane 1435.14
    cyclohexanone 708.92
    propylene glycol 14.99
    isopropyl acetate 291.58
    DMAc 1066.37
    2-ethoxyethanol 183.89
    isopentanol 81.34
    n-heptane 8.83
    ethyl formate 138.71
    1,2-dichloroethane 807.79
    n-hexanol 53.58
    2-methoxyethanol 168.49
    isobutyl acetate 230.38
    tetrachloromethane 185.2
    n-pentyl acetate 318.34
    transcutol 1021.35
    n-heptanol 50.01
    ethylbenzene 119.19
    MIBK 234.36
    2-propoxyethanol 174.04
    tert-butanol 97.37
    MTBE 235.15
    2-butoxyethanol 173.76
    propionic acid 128.53
    o-xylene 161.38
    formic acid 37.98
    diethyl ether 139.71
    m-xylene 124.99
    p-xylene 178.57
    chlorobenzene 336.59
    dimethyl carbonate 105.5
    n-octane 5.41
    formamide 88.37
    cyclopentanone 766.83
    2-pentanone 278.75
    anisole 263.45
    cyclopentyl methyl ether 374.79
    gamma-butyrolactone 821.48
    1-methoxy-2-propanol 173.28
    pyridine 374.42
    3-pentanone 274.5
    furfural 681.67
    n-dodecane 3.63
    diethylene glycol 72.69
    diisopropyl ether 69.41
    tert-amyl alcohol 146.95
    acetylacetone 456.73
    n-hexadecane 4.58
    acetophenone 389.92
    methyl propionate 261.95
    isopentyl acetate 327.73
    trichloroethylene 1670.57
    n-nonanol 62.48
    cyclohexanol 135.04
    benzyl alcohol 155.41
    2-ethylhexanol 63.78
    isooctanol 55.52
    dipropyl ether 108.56
    1,2-dichlorobenzene 435.27
    ethyl lactate 132.41
    propylene carbonate 499.38
    n-methylformamide 146.14
    2-pentanol 58.02
    n-pentane 8.33
    1-propoxy-2-propanol 174.29
    1-methoxy-2-propyl acetate 371.7
    2-(2-methoxypropoxy) propanol 260.5
    mesitylene 79.48
    ε-caprolactone 707.65
    p-cymene 70.63
    epichlorohydrin 1008.41
    1,1,1-trichloroethane 819.32
    2-aminoethanol 21.99
    morpholine-4-carbaldehyde 638.79
    sulfolane 1341.33
    2,2,4-trimethylpentane 16.2
    2-methyltetrahydrofuran 544.05
    n-hexyl acetate 343.47
    isooctane 7.44
    2-(2-butoxyethoxy)ethanol 292.1
    sec-butyl acetate 304.32
    tert-butyl acetate 386.45
    decalin 31.91
    glycerin 28.97
    diglyme 674.89
    acrylic acid 103.55
    isopropyl myristate 101.66
    n-butyric acid 233.45
    acetyl acetate 270.62
    di(2-ethylhexyl) phthalate 106.65
    ethyl propionate 311.54
    nitromethane 474.98
    1,2-diethoxyethane 326.11
    benzonitrile 216.95
    trioctyl phosphate 63.78
    1-bromopropane 336.75
    gamma-valerolactone 976.47
    n-decanol 38.27
    triethyl phosphate 173.92
    4-methyl-2-pentanol 49.03
    propionitrile 99.38
    vinylene carbonate 367.48
    1,1,2-trichlorotrifluoroethane 702.97
    DMS 286.11
    cumene 85.21
    2-octanol 47.74
    2-hexanone 311.23
    octyl acetate 126.09
    limonene 113.32
    1,2-dimethoxyethane 462.47
    ethyl orthosilicate 159.77
    tributyl phosphate 109.89
    diacetone alcohol 315.13
    N,N-dimethylaniline 203.85
    acrylonitrile 129.9
    aniline 159.8
    1,3-propanediol 44.99
    bromobenzene 418.29
    dibromomethane 800.85
    1,1,2,2-tetrachloroethane 1538.48
    2-methyl-cyclohexyl acetate 280.11
    tetrabutyl urea 149.74
    diisobutyl methanol 48.52
    2-phenylethanol 129.81
    styrene 148.05
    dioctyl adipate 194.44
    dimethyl sulfate 346.45
    ethyl butyrate 272.01
    methyl lactate 113.15
    butyl lactate 216.32
    diethyl carbonate 183.45
    propanediol butyl ether 151.68
    triethyl orthoformate 214.74
    p-tert-butyltoluene 66.29
    methyl 4-tert-butylbenzoate 296.33
    morpholine 363.46
    tert-butylamine 64.66
    n-dodecanol 25.33
    dimethoxymethane 227.9
    ethylene carbonate 302.45
    cyrene 274.5
    2-ethoxyethyl acetate 434.45
    2-ethylhexyl acetate 289.16
    1,2,4-trichlorobenzene 578.35
    4-methylpyridine 483.13
    dibutyl ether 141.75
    2,6-dimethyl-4-heptanol 48.52
    DEF 460.32
    dimethyl isosorbide 580.28
    tetrachloroethylene 810.06
    eugenol 242.9
    triacetin 434.04
    span 80 192.53
    1,4-butanediol 25.47
    1,1-dichloroethane 665.13
    2-methyl-1-pentanol 95.27
    methyl formate 110.08
    2-methyl-1-butanol 83.93
    n-decane 8.76
    butyronitrile 108.72
    3,7-dimethyl-1-octanol 81.97
    1-chlorooctane 72.88
    1-chlorotetradecane 19.29
    n-nonane 8.05
    undecane 5.23
    tert-butylcyclohexane 24.58
    cyclooctane 11.35
    cyclopentanol 136.17
    tetrahydropyran 320.71
    tert-amyl methyl ether 242.65
    2,5,8-trioxanonane 393.62
    1-hexene 66.74
    2-isopropoxyethanol 172.07
    2,2,2-trifluoroethanol 92.44
    methyl butyrate 442.13

    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