Diisopropyl Sebacate

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  • Identifiers

    CAS number
    7491-02-3

    Molecular formula
    C16H30O4

    SMILES
    CC(C)OC(=O)CCCCCCCCC(=O)OC(C)C

  • Odor profile

    Fragrance
    Fruity 77.6%
    Fatty 53.4%
    Oily 48.28%
    Winey 46.44%
    Buttery 31.72%
    Creamy 27.96%
    Waxy 26.78%
    Fermented 26.44%
    Peach 24.1%
    Apple 23.45%

     

    Flavor
    Fruity 82.79%
    Pineapple 45.65%
    Tropical 41.07%
    Green 37.3%
    Berry 34.2%
    Oily 33.74%
    Apple 33.33%
    Sweet 32.6%
    Fruit 31.52%
    Waxy 30.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    6.87 (neutral)

    Molecular weight
    286.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    316°C

    Flash point

    • 144.86 ˚C est.

  • Synonyms

    • DIISOPROPYL SEBACATE
    • 7491-02-3
    • Decanedioic acid, bis(1-methylethyl) ester
    • dipropan-2-yl decanedioate
    • Bis(1-methylethyl)decanedioate
    • di-isopropyl sebacate
    • J8T3X564IH
    • DERMOL DIPS
    • UNII-J8T3X564IH
    • DTXSID3064720
    • EINECS 231-306-4
    • DI-ISOPROPYL SEBACATE [VANDF]
    • DIISOPROPYL SEBACATE [WHO-DD]
    • EC 231-306-4
    • Prosebate
    • Schercemol DIS
    • Unimate DIPS
    • IPSE
    • Decanedioic acid, 1,10-bis(1-methylethyl) ester
    • SCHEMBL33685
    • bis(1-methylethyl) decanedioate
    • DTXCID3047716
    • decanedioic acid diisopropyl ester
    • DIISOPROPYL SEBACATE [INCI]
    • MFCD00072272
    • AKOS037643284
    • FD37993
    • AS-12528
    • decanedioic acid bis(1-methylethyl) ester
    • NS00001770
    • G85919
    • Q27281355
    • 231-306-4

  • Applications

    Diisopropyl Sebacate (CAS 7491-02-3) is a sebacic acid diester with isopropanol that is commonly used as a plasticizer for PVC and other polymers, as a solvent and carrier in cosmetics and personal care formulations, as an emollient in cosmetic products, as a fragrance carrier or fixative in perfumery, and as a processing aid in coatings, inks, and adhesives in industrial applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 161.42
    methanol 206.98
    isopropanol 156.45
    water 0.24
    ethyl acetate 427.78
    n-propanol 168.26
    acetone 581.88
    n-butanol 169.03
    acetonitrile 277.58
    DMF 792.29
    toluene 335.56
    isobutanol 166.08
    1,4-dioxane 504.97
    methyl acetate 390.17
    THF 1172.77
    2-butanone 478.7
    n-pentanol 149.98
    sec-butanol 193.5
    n-hexane 71.83
    ethylene glycol 20.47
    NMP 1465.5
    cyclohexane 153.9
    DMSO 818.36
    n-butyl acetate 353.53
    n-octanol 103.54
    chloroform 1872.07
    n-propyl acetate 345.98
    acetic acid 431.47
    dichloromethane 1721.08
    cyclohexanone 1174.93
    propylene glycol 49.32
    isopropyl acetate 359.17
    DMAc 1160.58
    2-ethoxyethanol 219.95
    isopentanol 174.37
    n-heptane 27.35
    ethyl formate 249.6
    1,2-dichloroethane 1003.76
    n-hexanol 127.33
    2-methoxyethanol 305.56
    isobutyl acetate 253.31
    tetrachloromethane 234.22
    n-pentyl acetate 319.84
    transcutol 722.53
    n-heptanol 74.07
    ethylbenzene 200.18
    MIBK 315.82
    2-propoxyethanol 260.76
    tert-butanol 249.83
    MTBE 339.57
    2-butoxyethanol 169.46
    propionic acid 277.33
    o-xylene 242.68
    formic acid 96.94
    diethyl ether 281.32
    m-xylene 219.19
    p-xylene 283.85
    chlorobenzene 531.5
    dimethyl carbonate 151.47
    n-octane 15.64
    formamide 145.15
    cyclopentanone 1243.24
    2-pentanone 439.49
    anisole 290.61
    cyclopentyl methyl ether 637.11
    gamma-butyrolactone 1396.26
    1-methoxy-2-propanol 276.98
    pyridine 623.63
    3-pentanone 404.39
    furfural 901.72
    n-dodecane 11.85
    diethylene glycol 149.66
    diisopropyl ether 117.33
    tert-amyl alcohol 272.62
    acetylacetone 628.0
    n-hexadecane 14.36
    acetophenone 380.71
    methyl propionate 356.5
    isopentyl acetate 332.86
    trichloroethylene 1883.49
    n-nonanol 102.15
    cyclohexanol 356.2
    benzyl alcohol 234.02
    2-ethylhexanol 110.5
    isooctanol 74.2
    dipropyl ether 174.55
    1,2-dichlorobenzene 517.35
    ethyl lactate 147.45
    propylene carbonate 727.27
    n-methylformamide 296.21
    2-pentanol 138.03
    n-pentane 42.79
    1-propoxy-2-propanol 211.86
    1-methoxy-2-propyl acetate 352.21
    2-(2-methoxypropoxy) propanol 236.5
    mesitylene 135.1
    ε-caprolactone 956.15
    p-cymene 94.28
    epichlorohydrin 1184.2
    1,1,1-trichloroethane 1007.38
    2-aminoethanol 65.42
    morpholine-4-carbaldehyde 844.22
    sulfolane 1686.47
    2,2,4-trimethylpentane 35.04
    2-methyltetrahydrofuran 837.69
    n-hexyl acetate 406.03
    isooctane 17.1
    2-(2-butoxyethoxy)ethanol 272.88
    sec-butyl acetate 264.77
    tert-butyl acetate 410.47
    decalin 77.65
    glycerin 82.76
    diglyme 553.35
    acrylic acid 239.77
    isopropyl myristate 139.24
    n-butyric acid 419.15
    acetyl acetate 366.66
    di(2-ethylhexyl) phthalate 143.96
    ethyl propionate 332.05
    nitromethane 769.95
    1,2-diethoxyethane 297.12
    benzonitrile 363.35
    trioctyl phosphate 98.85
    1-bromopropane 542.27
    gamma-valerolactone 1288.91
    n-decanol 69.01
    triethyl phosphate 178.0
    4-methyl-2-pentanol 92.48
    propionitrile 233.02
    vinylene carbonate 586.7
    1,1,2-trichlorotrifluoroethane 734.27
    DMS 313.42
    cumene 127.0
    2-octanol 75.69
    2-hexanone 340.39
    octyl acetate 178.59
    limonene 162.99
    1,2-dimethoxyethane 533.87
    ethyl orthosilicate 164.23
    tributyl phosphate 149.02
    diacetone alcohol 329.32
    N,N-dimethylaniline 230.97
    acrylonitrile 285.88
    aniline 279.57
    1,3-propanediol 117.1
    bromobenzene 623.36
    dibromomethane 1154.29
    1,1,2,2-tetrachloroethane 1611.7
    2-methyl-cyclohexyl acetate 287.89
    tetrabutyl urea 197.08
    diisobutyl methanol 72.67
    2-phenylethanol 188.58
    styrene 237.43
    dioctyl adipate 248.89
    dimethyl sulfate 363.56
    ethyl butyrate 284.44
    methyl lactate 160.7
    butyl lactate 215.13
    diethyl carbonate 204.83
    propanediol butyl ether 171.92
    triethyl orthoformate 210.93
    p-tert-butyltoluene 90.13
    methyl 4-tert-butylbenzoate 294.88
    morpholine 636.57
    tert-butylamine 161.39
    n-dodecanol 51.67
    dimethoxymethane 361.99
    ethylene carbonate 497.84
    cyrene 314.84
    2-ethoxyethyl acetate 358.1
    2-ethylhexyl acetate 288.06
    1,2,4-trichlorobenzene 627.69
    4-methylpyridine 738.33
    dibutyl ether 203.67
    2,6-dimethyl-4-heptanol 72.67
    DEF 577.51
    dimethyl isosorbide 496.9
    tetrachloroethylene 915.06
    eugenol 234.24
    triacetin 427.58
    span 80 239.58
    1,4-butanediol 60.54
    1,1-dichloroethane 932.92
    2-methyl-1-pentanol 169.2
    methyl formate 235.18
    2-methyl-1-butanol 186.14
    n-decane 23.99
    butyronitrile 269.31
    3,7-dimethyl-1-octanol 110.99
    1-chlorooctane 122.27
    1-chlorotetradecane 43.14
    n-nonane 23.7
    undecane 15.85
    tert-butylcyclohexane 54.92
    cyclooctane 40.59
    cyclopentanol 370.27
    tetrahydropyran 679.12
    tert-amyl methyl ether 309.27
    2,5,8-trioxanonane 375.3
    1-hexene 186.6
    2-isopropoxyethanol 184.74
    2,2,2-trifluoroethanol 189.1
    methyl butyrate 446.83

    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