Diisooctyl Sebacate

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  • Identifiers

    CAS number
    27214-90-0

    Molecular formula
    C26H50O4

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

    Safety labels

  • Odor profile

    Fragrance
    Oily 49.62%
    Fruity 37.89%
    Waxy 36.07%
    Odorless 34.34%
    Fatty 33.68%
    Floral 28.8%
    Herbal 28.74%
    Sweet 26.02%
    Winey 25.84%
    Woody 23.84%

     

    Flavor
    Waxy 54.7%
    Oily 53.24%
    Fruity 49.33%
    Soapy 36.92%
    Floral 35.4%
    Mild 34.83%
    Fatty 34.14%
    Sweet 32.17%
    Green 30.94%
    Creamy 28.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.0

    pKa est.
    7.46 (neutral)

    Molecular weight
    426.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    434°C

    Flash point

    • 200.43 ˚C est.

  • Synonyms

    • Diisooctyl sebacate
    • 27214-90-0
    • Decanedioic acid, 1,10-diisooctyl ester
    • UNII-ZD1TEK0P5Y
    • ZD1TEK0P5Y
    • HALLGREEN DCS
    • NIKKOL GS-DMHS
    • EINECS 248-333-2
    • DTXSID3067287
    • RefChem:134059
    • DTXCID1037640
    • DIISOOCTYL SEBACATE [INCI]
    • 248-333-2
    • bis(6-methylheptyl) decanedioate
    • Decanedioic acid, diisooctyl ester
    • Sebacic acid, bis(6-methylheptyl) ester
    • 106-04-7
    • Diisooctyl Aebacate
    • starbld0000642
    • SCHEMBL517937
    • diisooctyl sebacate, AldrichCPR
    • orb1987276
    • MSK165162
    • AKOS016012591
    • LS-15167
    • NS00021975
    • H58003
    • 214D900
    • Q27295328
    • 27214-90-0

  • Applications

    Diisooctyl Sebacate (CAS 27214-90-0) is a non-phthalate sebacate plasticizer widely used to impart flexibility and low-temperature performance to polymers such as flexible PVC and polyurethane systems; it also serves as a high-boiling solvent and emollient in cosmetics and personal care formulations, improving texture and glide while carrying actives. In coatings, inks and sealants, adhesives, and electronics encapsulants, it functions as a plasticizer and processing aid to enhance film formation, elasticity and durability with relatively low migration. It may also be used as a processing solvent or carrier in polymer formulation, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.83
    methanol 13.76
    isopropanol 11.51
    water 0.06
    ethyl acetate 110.4
    n-propanol 17.87
    acetone 79.01
    n-butanol 20.81
    acetonitrile 28.35
    DMF 110.18
    toluene 71.15
    isobutanol 18.78
    1,4-dioxane 115.45
    methyl acetate 78.34
    THF 348.91
    2-butanone 112.6
    n-pentanol 24.69
    sec-butanol 24.54
    n-hexane 11.08
    ethylene glycol 1.43
    NMP 507.61
    cyclohexane 41.87
    DMSO 157.76
    n-butyl acetate 121.63
    n-octanol 37.58
    chloroform 582.79
    n-propyl acetate 132.88
    acetic acid 56.57
    dichloromethane 621.06
    cyclohexanone 393.04
    propylene glycol 4.68
    isopropyl acetate 106.66
    DMAc 342.83
    2-ethoxyethanol 61.35
    isopentanol 29.85
    n-heptane 8.06
    ethyl formate 53.84
    1,2-dichloroethane 324.06
    n-hexanol 22.41
    2-methoxyethanol 48.94
    isobutyl acetate 91.64
    tetrachloromethane 107.87
    n-pentyl acetate 218.48
    transcutol 425.59
    n-heptanol 31.34
    ethylbenzene 53.77
    MIBK 106.53
    2-propoxyethanol 67.0
    tert-butanol 26.51
    MTBE 66.51
    2-butoxyethanol 96.15
    propionic acid 44.24
    o-xylene 72.2
    formic acid 13.66
    diethyl ether 47.2
    m-xylene 56.44
    p-xylene 79.49
    chlorobenzene 157.72
    dimethyl carbonate 37.16
    n-octane 5.02
    formamide 27.28
    cyclopentanone 372.97
    2-pentanone 111.08
    anisole 104.06
    cyclopentyl methyl ether 184.99
    gamma-butyrolactone 349.65
    1-methoxy-2-propanol 56.83
    pyridine 174.44
    3-pentanone 111.02
    furfural 288.21
    n-dodecane 3.11
    diethylene glycol 24.79
    diisopropyl ether 29.64
    tert-amyl alcohol 49.22
    acetylacetone 178.49
    n-hexadecane 3.86
    acetophenone 165.07
    methyl propionate 88.79
    isopentyl acetate 134.21
    trichloroethylene 674.97
    n-nonanol 39.67
    cyclohexanol 70.16
    benzyl alcohol 61.39
    2-ethylhexanol 31.22
    isooctanol 36.32
    dipropyl ether 58.77
    1,2-dichlorobenzene 220.74
    ethyl lactate 54.67
    propylene carbonate 219.77
    n-methylformamide 42.73
    2-pentanol 20.34
    n-pentane 5.91
    1-propoxy-2-propanol 72.85
    1-methoxy-2-propyl acetate 146.58
    2-(2-methoxypropoxy) propanol 122.54
    mesitylene 40.94
    ε-caprolactone 363.46
    p-cymene 40.72
    epichlorohydrin 411.12
    1,1,1-trichloroethane 371.77
    2-aminoethanol 6.22
    morpholine-4-carbaldehyde 263.47
    sulfolane 651.28
    2,2,4-trimethylpentane 10.34
    2-methyltetrahydrofuran 256.85
    n-hexyl acetate 205.17
    isooctane 4.62
    2-(2-butoxyethoxy)ethanol 144.06
    sec-butyl acetate 115.17
    tert-butyl acetate 163.97
    decalin 21.57
    glycerin 10.21
    diglyme 356.99
    acrylic acid 36.07
    isopropyl myristate 59.19
    n-butyric acid 99.59
    acetyl acetate 94.83
    di(2-ethylhexyl) phthalate 61.23
    ethyl propionate 122.06
    nitromethane 139.99
    1,2-diethoxyethane 159.96
    benzonitrile 86.16
    trioctyl phosphate 39.05
    1-bromopropane 144.01
    gamma-valerolactone 466.8
    n-decanol 23.58
    triethyl phosphate 90.47
    4-methyl-2-pentanol 20.42
    propionitrile 31.86
    vinylene carbonate 171.69
    1,1,2-trichlorotrifluoroethane 277.32
    DMS 109.03
    cumene 39.63
    2-octanol 30.77
    2-hexanone 128.45
    octyl acetate 75.79
    limonene 67.46
    1,2-dimethoxyethane 165.54
    ethyl orthosilicate 88.81
    tributyl phosphate 58.88
    diacetone alcohol 134.66
    N,N-dimethylaniline 82.3
    acrylonitrile 38.18
    aniline 61.25
    1,3-propanediol 13.77
    bromobenzene 204.09
    dibromomethane 345.31
    1,1,2,2-tetrachloroethane 616.59
    2-methyl-cyclohexyl acetate 144.57
    tetrabutyl urea 91.52
    diisobutyl methanol 25.48
    2-phenylethanol 55.79
    styrene 63.04
    dioctyl adipate 120.03
    dimethyl sulfate 118.12
    ethyl butyrate 130.77
    methyl lactate 41.6
    butyl lactate 129.83
    diethyl carbonate 78.89
    propanediol butyl ether 77.15
    triethyl orthoformate 115.94
    p-tert-butyltoluene 36.56
    methyl 4-tert-butylbenzoate 182.99
    morpholine 155.96
    tert-butylamine 20.33
    n-dodecanol 15.32
    dimethoxymethane 75.06
    ethylene carbonate 141.41
    cyrene 149.69
    2-ethoxyethyl acetate 243.07
    2-ethylhexyl acetate 125.1
    1,2,4-trichlorobenzene 287.47
    4-methylpyridine 179.09
    dibutyl ether 89.42
    2,6-dimethyl-4-heptanol 25.48
    DEF 167.51
    dimethyl isosorbide 299.15
    tetrachloroethylene 370.21
    eugenol 133.86
    triacetin 248.78
    span 80 111.51
    1,4-butanediol 8.27
    1,1-dichloroethane 238.55
    2-methyl-1-pentanol 37.93
    methyl formate 36.03
    2-methyl-1-butanol 31.62
    n-decane 7.75
    butyronitrile 40.06
    3,7-dimethyl-1-octanol 44.03
    1-chlorooctane 48.77
    1-chlorotetradecane 12.95
    n-nonane 7.23
    undecane 4.56
    tert-butylcyclohexane 15.03
    cyclooctane 11.71
    cyclopentanol 65.03
    tetrahydropyran 170.98
    tert-amyl methyl ether 86.02
    2,5,8-trioxanonane 193.63
    1-hexene 30.42
    2-isopropoxyethanol 60.6
    2,2,2-trifluoroethanol 37.04
    methyl butyrate 172.99

    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