Diisostearyl Fumarate

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  • Identifiers

    CAS number
    113431-53-1

    Molecular formula
    C40H76O4

    SMILES
    CC(C)CCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCCCCCCCCCC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 65.05%
    Fatty 49.56%
    Oily 43.6%
    Odorless 36.06%
    Balsamic 24.21%
    Sweet 21.98%
    Woody 21.63%
    Milky 18.96%
    Creamy 18.3%
    Amber 17.93%

     

    Flavor
    Waxy 40.55%
    Mild 36.18%
    Bland 35.03%
    Oily 33.86%
    Fatty 32.12%
    Faint 31.9%
    Odorless 23.66%
    Slightly waxy 23.28%
    Delicate 21.87%
    Beer 21.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    17.3

    pKa est.
    10.33 (weak base)

    Molecular weight
    621.0 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    585°C

    Flash point

    • 269.56 ˚C est.

  • Synonyms

    • Diisostearyl fumarate
    • Schercemol DISF
    • Pelemol DISF
    • 113431-53-1
    • Schercemol DISF ester
    • 2-Butenedioic acid (2E)-, diisooctadecyl ester
    • UNII-64M57FH70B
    • 64M57FH70B
    • 2-Butenedioic acid (E)-, diisooctadecyl ester
    • 2-Butenedioic acid (2E)-, 1,4-diisooctadecyl ester
    • DTXSID80150411
    • RefChem:134094
    • DTXCID8072902
    • DIISOSTEARYL FUMARATE [INCI]
    • bis(16-methylheptadecyl) (E)-but-2-enedioate
    • SCHEMBL344791
    • UNZOESWLBMZBEY-JEIPZWNWSA-N
    • Bis(16-methylheptadecyl) (2E)-but-2-enedioate
    • 2-Butenedioic acid(2E)-,1,4-diisooctadecyl ester
    • Q27263772
    • 113431-53-1

  • Applications

    Diisostearyl Fumarate (CAS 113431-53-1) is commonly used as an emollient and solvent in cosmetics and personal care, providing slip and conditioning without a heavy odor. It also acts as a plasticizer for polymers and coatings, improving flexibility and processing of materials such as plastics, adhesives, and inks. In perfumery, it serves as a carrier for fragrance oils and helps solubilize and deliver aroma compounds. The material may be employed as a processing aid or plasticizing component in industrial formulations and household products, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.33
    methanol 2.45
    isopropanol 2.47
    water 0.03
    ethyl acetate 49.71
    n-propanol 4.22
    acetone 23.67
    n-butanol 4.53
    acetonitrile 7.98
    DMF 42.02
    toluene 27.49
    isobutanol 4.02
    1,4-dioxane 38.11
    methyl acetate 32.71
    THF 133.29
    2-butanone 40.12
    n-pentanol 5.98
    sec-butanol 6.02
    n-hexane 5.58
    ethylene glycol 0.32
    NMP 247.45
    cyclohexane 14.02
    DMSO 44.08
    n-butyl acetate 48.78
    n-octanol 11.01
    chloroform 241.9
    n-propyl acetate 57.17
    acetic acid 15.7
    dichloromethane 240.91
    cyclohexanone 131.43
    propylene glycol 1.01
    isopropyl acetate 51.95
    DMAc 163.85
    2-ethoxyethanol 15.71
    isopentanol 6.23
    n-heptane 4.91
    ethyl formate 17.75
    1,2-dichloroethane 112.25
    n-hexanol 5.39
    2-methoxyethanol 11.95
    isobutyl acetate 39.39
    tetrachloromethane 44.8
    n-pentyl acetate 87.17
    transcutol 132.99
    n-heptanol 8.44
    ethylbenzene 23.13
    MIBK 37.1
    2-propoxyethanol 18.49
    tert-butanol 5.61
    MTBE 26.56
    2-butoxyethanol 31.0
    propionic acid 13.67
    o-xylene 28.1
    formic acid 3.24
    diethyl ether 17.8
    m-xylene 22.84
    p-xylene 31.8
    chlorobenzene 57.62
    dimethyl carbonate 22.74
    n-octane 3.01
    formamide 6.99
    cyclopentanone 152.46
    2-pentanone 39.94
    anisole 45.61
    cyclopentyl methyl ether 83.06
    gamma-butyrolactone 164.59
    1-methoxy-2-propanol 16.28
    pyridine 62.23
    3-pentanone 46.32
    furfural 110.99
    n-dodecane 1.68
    diethylene glycol 5.44
    diisopropyl ether 14.54
    tert-amyl alcohol 13.03
    acetylacetone 75.09
    n-hexadecane 2.09
    acetophenone 70.76
    methyl propionate 41.73
    isopentyl acetate 55.93
    trichloroethylene 275.49
    n-nonanol 13.43
    cyclohexanol 16.0
    benzyl alcohol 16.69
    2-ethylhexanol 10.18
    isooctanol 11.33
    dipropyl ether 30.6
    1,2-dichlorobenzene 94.54
    ethyl lactate 23.34
    propylene carbonate 103.78
    n-methylformamide 13.62
    2-pentanol 5.61
    n-pentane 2.71
    1-propoxy-2-propanol 26.4
    1-methoxy-2-propyl acetate 69.7
    2-(2-methoxypropoxy) propanol 50.59
    mesitylene 18.21
    ε-caprolactone 146.61
    p-cymene 19.21
    epichlorohydrin 162.79
    1,1,1-trichloroethane 168.18
    2-aminoethanol 1.34
    morpholine-4-carbaldehyde 101.68
    sulfolane 317.18
    2,2,4-trimethylpentane 5.83
    2-methyltetrahydrofuran 102.52
    n-hexyl acetate 80.92
    isooctane 2.42
    2-(2-butoxyethoxy)ethanol 48.61
    sec-butyl acetate 58.84
    tert-butyl acetate 86.05
    decalin 10.7
    glycerin 2.38
    diglyme 139.72
    acrylic acid 11.51
    isopropyl myristate 27.28
    n-butyric acid 29.49
    acetyl acetate 51.06
    di(2-ethylhexyl) phthalate 23.91
    ethyl propionate 64.6
    nitromethane 52.16
    1,2-diethoxyethane 65.4
    benzonitrile 26.92
    trioctyl phosphate 14.92
    1-bromopropane 52.86
    gamma-valerolactone 180.65
    n-decanol 8.22
    triethyl phosphate 53.03
    4-methyl-2-pentanol 6.14
    propionitrile 10.25
    vinylene carbonate 73.68
    1,1,2-trichlorotrifluoroethane 110.09
    DMS 57.05
    cumene 18.03
    2-octanol 9.93
    2-hexanone 48.87
    octyl acetate 30.94
    limonene 31.31
    1,2-dimethoxyethane 56.5
    ethyl orthosilicate 52.04
    tributyl phosphate 25.36
    diacetone alcohol 49.75
    N,N-dimethylaniline 40.25
    acrylonitrile 12.23
    aniline 19.13
    1,3-propanediol 2.83
    bromobenzene 82.59
    dibromomethane 122.36
    1,1,2,2-tetrachloroethane 272.19
    2-methyl-cyclohexyl acetate 71.02
    tetrabutyl urea 39.26
    diisobutyl methanol 10.54
    2-phenylethanol 15.94
    styrene 24.98
    dioctyl adipate 52.01
    dimethyl sulfate 75.49
    ethyl butyrate 69.38
    methyl lactate 17.4
    butyl lactate 51.36
    diethyl carbonate 41.87
    propanediol butyl ether 20.53
    triethyl orthoformate 68.77
    p-tert-butyltoluene 18.96
    methyl 4-tert-butylbenzoate 94.99
    morpholine 47.08
    tert-butylamine 4.93
    n-dodecanol 5.52
    dimethoxymethane 30.31
    ethylene carbonate 61.28
    cyrene 58.34
    2-ethoxyethyl acetate 103.57
    2-ethylhexyl acetate 55.68
    1,2,4-trichlorobenzene 133.96
    4-methylpyridine 64.98
    dibutyl ether 39.28
    2,6-dimethyl-4-heptanol 10.54
    DEF 66.77
    dimethyl isosorbide 156.57
    tetrachloroethylene 140.63
    eugenol 56.25
    triacetin 123.61
    span 80 38.08
    1,4-butanediol 1.8
    1,1-dichloroethane 85.76
    2-methyl-1-pentanol 9.88
    methyl formate 12.91
    2-methyl-1-butanol 7.46
    n-decane 4.2
    butyronitrile 11.35
    3,7-dimethyl-1-octanol 15.74
    1-chlorooctane 21.55
    1-chlorotetradecane 6.33
    n-nonane 3.85
    undecane 2.48
    tert-butylcyclohexane 8.08
    cyclooctane 6.23
    cyclopentanol 16.63
    tetrahydropyran 56.7
    tert-amyl methyl ether 39.04
    2,5,8-trioxanonane 76.08
    1-hexene 12.44
    2-isopropoxyethanol 15.94
    2,2,2-trifluoroethanol 12.74
    methyl butyrate 81.15

    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