Dioctan-2-yl but-2-enedioate

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  • Identifiers

    CAS number
    97298-48-1

    Molecular formula
    C20H36O4

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

    Safety labels

  • Odor profile

    Fragrance
    Green 50.93%
    Fruity 48.52%
    Floral 43.5%
    Oily 42.68%
    Waxy 40.55%
    Fatty 38.31%
    Herbal 37.27%
    Lactonic 30.77%
    Winey 29.07%
    Jasmin 27.03%

     

    Flavor
    Fruity 57.69%
    Green 36.86%
    Oily 35.11%
    Waxy 32.03%
    Herbal 29.6%
    Fatty 24.08%
    Tropical 22.81%
    Pear skin 20.75%
    Heather 20.0%
    Cucumber skin 19.97%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.8

    pKa est.
    6.79 (neutral)

    Molecular weight
    340.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    365°C

    Flash point

    • 178.06 ˚C est.

  • Synonyms

    • 97298-48-1
    • Bis(1-methylheptyl) 2-butenedioate
    • dioctan-2-yl but-2-enedioate
    • SCHEMBL7064102
    • DTXSID80866601
    • Di(octan-2-yl) but-2-enedioate
    • 1,4-Bis(1-methylheptyl) 2-butenedioate
    • NS00121755
    • 97298-48-1

  • Applications

    Dioctan-2-yl but-2-enedioate (CAS 97298-48-1) is primarily used as a plasticizer for PVC and other polymers, improving flexibility, processability, and film properties. It also serves as a processing aid in coatings and printing inks, helping to reduce viscosity and facilitate film formation. In coatings and adhesive formulations, it can function as a flexible additive and diluent in alkyd and polyester resin systems. It may be used as an intermediate or building block in the synthesis of specialty esters and polymer additives, and is occasionally employed as a solvent or carrier in cosmetic and personal care formulations. Its use is typically governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 90.08
    methanol 81.97
    isopropanol 86.34
    water 0.09
    ethyl acetate 624.8
    n-propanol 121.19
    acetone 527.19
    n-butanol 122.29
    acetonitrile 243.97
    DMF 1239.08
    toluene 428.99
    isobutanol 116.13
    1,4-dioxane 416.34
    methyl acetate 572.51
    THF 1216.28
    2-butanone 672.5
    n-pentanol 124.83
    sec-butanol 150.61
    n-hexane 54.43
    ethylene glycol 12.36
    NMP 3161.74
    cyclohexane 87.29
    DMSO 1186.92
    n-butyl acetate 536.54
    n-octanol 77.09
    chloroform 2452.4
    n-propyl acetate 511.35
    acetic acid 276.71
    dichloromethane 2855.05
    cyclohexanone 1385.34
    propylene glycol 30.6
    isopropyl acetate 502.8
    DMAc 2300.85
    2-ethoxyethanol 267.7
    isopentanol 153.76
    n-heptane 19.18
    ethyl formate 257.19
    1,2-dichloroethane 1884.53
    n-hexanol 105.73
    2-methoxyethanol 300.04
    isobutyl acetate 332.77
    tetrachloromethane 356.97
    n-pentyl acetate 433.25
    transcutol 1201.12
    n-heptanol 70.03
    ethylbenzene 248.51
    MIBK 403.45
    2-propoxyethanol 283.15
    tert-butanol 153.52
    MTBE 395.07
    2-butoxyethanol 221.67
    propionic acid 280.82
    o-xylene 360.19
    formic acid 77.16
    diethyl ether 300.8
    m-xylene 293.52
    p-xylene 355.44
    chlorobenzene 778.17
    dimethyl carbonate 296.2
    n-octane 9.07
    formamide 183.31
    cyclopentanone 1680.2
    2-pentanone 570.82
    anisole 490.24
    cyclopentyl methyl ether 850.8
    gamma-butyrolactone 1775.06
    1-methoxy-2-propanol 296.74
    pyridine 849.53
    3-pentanone 640.0
    furfural 1290.3
    n-dodecane 6.04
    diethylene glycol 132.5
    diisopropyl ether 139.22
    tert-amyl alcohol 240.69
    acetylacetone 844.57
    n-hexadecane 7.69
    acetophenone 690.29
    methyl propionate 613.83
    isopentyl acetate 551.15
    trichloroethylene 3582.19
    n-nonanol 79.08
    cyclohexanol 261.96
    benzyl alcohol 281.27
    2-ethylhexanol 109.0
    isooctanol 72.57
    dipropyl ether 199.67
    1,2-dichlorobenzene 926.07
    ethyl lactate 202.65
    propylene carbonate 942.17
    n-methylformamide 377.33
    2-pentanol 119.52
    n-pentane 28.44
    1-propoxy-2-propanol 268.18
    1-methoxy-2-propyl acetate 625.72
    2-(2-methoxypropoxy) propanol 345.51
    mesitylene 172.39
    ε-caprolactone 1252.82
    p-cymene 127.7
    epichlorohydrin 2046.24
    1,1,1-trichloroethane 1650.3
    2-aminoethanol 47.4
    morpholine-4-carbaldehyde 1347.69
    sulfolane 3068.38
    2,2,4-trimethylpentane 35.2
    2-methyltetrahydrofuran 1042.7
    n-hexyl acetate 514.54
    isooctane 15.71
    2-(2-butoxyethoxy)ethanol 367.84
    sec-butyl acetate 444.58
    tert-butyl acetate 617.61
    decalin 72.51
    glycerin 60.86
    diglyme 831.71
    acrylic acid 259.51
    isopropyl myristate 154.46
    n-butyric acid 417.92
    acetyl acetate 480.16
    di(2-ethylhexyl) phthalate 166.84
    ethyl propionate 540.61
    nitromethane 855.35
    1,2-diethoxyethane 487.72
    benzonitrile 410.49
    trioctyl phosphate 98.12
    1-bromopropane 795.62
    gamma-valerolactone 1774.59
    n-decanol 50.58
    triethyl phosphate 287.01
    4-methyl-2-pentanol 84.19
    propionitrile 243.83
    vinylene carbonate 718.71
    1,1,2-trichlorotrifluoroethane 1266.77
    DMS 556.73
    cumene 160.86
    2-octanol 64.64
    2-hexanone 487.64
    octyl acetate 198.29
    limonene 214.74
    1,2-dimethoxyethane 639.86
    ethyl orthosilicate 248.88
    tributyl phosphate 176.85
    diacetone alcohol 478.37
    N,N-dimethylaniline 390.56
    acrylonitrile 329.98
    aniline 389.46
    1,3-propanediol 85.37
    bromobenzene 1015.45
    dibromomethane 1678.27
    1,1,2,2-tetrachloroethane 3124.31
    2-methyl-cyclohexyl acetate 432.46
    tetrabutyl urea 253.54
    diisobutyl methanol 76.2
    2-phenylethanol 221.85
    styrene 320.22
    dioctyl adipate 291.76
    dimethyl sulfate 882.94
    ethyl butyrate 441.74
    methyl lactate 243.94
    butyl lactate 295.42
    diethyl carbonate 302.7
    propanediol butyl ether 185.66
    triethyl orthoformate 322.29
    p-tert-butyltoluene 117.71
    methyl 4-tert-butylbenzoate 455.88
    morpholine 656.22
    tert-butylamine 112.47
    n-dodecanol 35.55
    dimethoxymethane 536.56
    ethylene carbonate 601.02
    cyrene 403.01
    2-ethoxyethyl acetate 617.8
    2-ethylhexyl acetate 491.88
    1,2,4-trichlorobenzene 1200.33
    4-methylpyridine 1087.37
    dibutyl ether 211.86
    2,6-dimethyl-4-heptanol 76.2
    DEF 1045.69
    dimethyl isosorbide 830.95
    tetrachloroethylene 1697.36
    eugenol 349.92
    triacetin 606.84
    span 80 263.51
    1,4-butanediol 44.39
    1,1-dichloroethane 1371.09
    2-methyl-1-pentanol 174.34
    methyl formate 266.4
    2-methyl-1-butanol 172.56
    n-decane 13.02
    butyronitrile 233.16
    3,7-dimethyl-1-octanol 109.9
    1-chlorooctane 111.0
    1-chlorotetradecane 33.79
    n-nonane 12.15
    undecane 8.23
    tert-butylcyclohexane 50.26
    cyclooctane 27.2
    cyclopentanol 283.28
    tetrahydropyran 597.42
    tert-amyl methyl ether 457.03
    2,5,8-trioxanonane 506.1
    1-hexene 175.7
    2-isopropoxyethanol 239.69
    2,2,2-trifluoroethanol 175.42
    methyl butyrate 706.99

    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