Dibehenyl Fumarate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    45322-31-4

    Molecular formula
    C48H92O4

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCCCCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Waxy 69.63%
    Fatty 61.65%
    Oily 48.08%
    Odorless 34.56%
    Sweet 21.19%
    Creamy 19.07%
    Balsamic 17.24%
    Milky 15.57%
    Dairy 15.39%
    Clean 15.07%

     

    Flavor
    Waxy 50.58%
    Mild 38.78%
    Fatty 36.56%
    Bland 34.5%
    Faint 31.75%
    Oily 31.59%
    Odorless 23.96%
    Slightly waxy 23.86%
    Fat 22.99%
    Beer 21.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    22.2

    pKa est.
    11.75 (strong base)

    Molecular weight
    733.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    641°C

    Flash point

    • 319.84 ˚C est.

  • Synonyms

    • Didocosyl fumarate
    • dibehenyl fumarate
    • UNII-1IZ2U11X1E
    • 1IZ2U11X1E
    • EINECS 256-234-0
    • MARRIX 222
    • 2-BUTENEDIOIC ACID (E)-, DIDOCOSYL ESTER
    • 2-BUTENEDIOIC ACID (2E)-, DIDOCOSYL ESTER
    • 2-BUTENEDIOIC ACID (2E)-, 1,4-DIDOCOSYL ESTER
    • RefChem:132782
    • DIBEHENYL FUMARATE [INCI]
    • 45322-31-4
    • di-behenyl fumarate
    • di-n-docosyl fumarate
    • SCHEMBL357422
    • Didocosyl (2E)-but-2-enedioate
    • DTXSID001316165
    • NS00058560
    • Q27252471
    • 45322-31-4

  • Applications

    Dibehenyl Fumarate is a high-molecular-weight, non-phthalate diester used primarily as a plasticizer for polymers such as PVC and other plastics, where its long behenyl groups impart lubricity and low volatility. It also serves as a processing aid and flow modifier in coatings, inks, and adhesives, helping film formation and leveling. In UV-curable systems, the fumarate double bond enables it to act as a reactive diluent or crosslinking component, promoting rapid cure while contributing to final flexibility. Additionally, it can be employed as an intermediate in the synthesis of specialty polyesters and related resins, leveraging its diester functionality.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.43
    methanol 4.27
    isopropanol 3.44
    water 0.1
    ethyl acetate 79.25
    n-propanol 6.15
    acetone 36.46
    n-butanol 6.36
    acetonitrile 14.55
    DMF 78.1
    toluene 36.92
    isobutanol 5.82
    1,4-dioxane 58.11
    methyl acetate 53.66
    THF 175.55
    2-butanone 60.16
    n-pentanol 7.93
    sec-butanol 8.38
    n-hexane 7.7
    ethylene glycol 0.67
    NMP 408.47
    cyclohexane 23.88
    DMSO 85.06
    n-butyl acetate 69.96
    n-octanol 15.3
    chloroform 316.41
    n-propyl acetate 82.8
    acetic acid 26.62
    dichloromethane 343.06
    cyclohexanone 197.55
    propylene glycol 1.71
    isopropyl acetate 72.57
    DMAc 266.6
    2-ethoxyethanol 22.45
    isopentanol 8.04
    n-heptane 7.57
    ethyl formate 30.73
    1,2-dichloroethane 165.14
    n-hexanol 7.11
    2-methoxyethanol 18.59
    isobutyl acetate 50.72
    tetrachloromethane 69.49
    n-pentyl acetate 124.67
    transcutol 152.83
    n-heptanol 12.02
    ethylbenzene 29.98
    MIBK 48.5
    2-propoxyethanol 25.05
    tert-butanol 7.47
    MTBE 33.1
    2-butoxyethanol 41.98
    propionic acid 23.78
    o-xylene 40.0
    formic acid 6.72
    diethyl ether 25.28
    m-xylene 30.03
    p-xylene 43.93
    chlorobenzene 83.54
    dimethyl carbonate 44.28
    n-octane 4.93
    formamide 14.26
    cyclopentanone 232.38
    2-pentanone 57.61
    anisole 58.82
    cyclopentyl methyl ether 113.53
    gamma-butyrolactone 269.12
    1-methoxy-2-propanol 22.69
    pyridine 98.05
    3-pentanone 71.3
    furfural 184.08
    n-dodecane 2.68
    diethylene glycol 8.27
    diisopropyl ether 18.8
    tert-amyl alcohol 16.71
    acetylacetone 116.97
    n-hexadecane 3.3
    acetophenone 99.87
    methyl propionate 69.95
    isopentyl acetate 72.65
    trichloroethylene 385.7
    n-nonanol 18.73
    cyclohexanol 23.43
    benzyl alcohol 22.13
    2-ethylhexanol 13.47
    isooctanol 14.59
    dipropyl ether 42.64
    1,2-dichlorobenzene 137.02
    ethyl lactate 35.68
    propylene carbonate 168.05
    n-methylformamide 26.45
    2-pentanol 7.62
    n-pentane 3.95
    1-propoxy-2-propanol 34.29
    1-methoxy-2-propyl acetate 90.38
    2-(2-methoxypropoxy) propanol 59.45
    mesitylene 24.24
    ε-caprolactone 223.41
    p-cymene 25.18
    epichlorohydrin 238.13
    1,1,1-trichloroethane 243.72
    2-aminoethanol 2.42
    morpholine-4-carbaldehyde 162.33
    sulfolane 534.87
    2,2,4-trimethylpentane 7.6
    2-methyltetrahydrofuran 138.25
    n-hexyl acetate 110.66
    isooctane 3.11
    2-(2-butoxyethoxy)ethanol 58.83
    sec-butyl acetate 78.43
    tert-butyl acetate 110.51
    decalin 15.23
    glycerin 4.16
    diglyme 173.88
    acrylic acid 20.83
    isopropyl myristate 37.89
    n-butyric acid 46.55
    acetyl acetate 85.95
    di(2-ethylhexyl) phthalate 33.05
    ethyl propionate 95.67
    nitromethane 91.62
    1,2-diethoxyethane 86.55
    benzonitrile 40.51
    trioctyl phosphate 22.09
    1-bromopropane 72.07
    gamma-valerolactone 280.22
    n-decanol 11.47
    triethyl phosphate 78.7
    4-methyl-2-pentanol 7.44
    propionitrile 17.88
    vinylene carbonate 128.75
    1,1,2-trichlorotrifluoroethane 170.65
    DMS 91.64
    cumene 23.18
    2-octanol 14.01
    2-hexanone 65.13
    octyl acetate 44.88
    limonene 43.31
    1,2-dimethoxyethane 78.68
    ethyl orthosilicate 71.98
    tributyl phosphate 36.56
    diacetone alcohol 63.82
    N,N-dimethylaniline 53.83
    acrylonitrile 22.13
    aniline 27.86
    1,3-propanediol 4.56
    bromobenzene 116.02
    dibromomethane 172.75
    1,1,2,2-tetrachloroethane 378.75
    2-methyl-cyclohexyl acetate 91.85
    tetrabutyl urea 57.28
    diisobutyl methanol 12.89
    2-phenylethanol 19.96
    styrene 33.0
    dioctyl adipate 72.97
    dimethyl sulfate 142.31
    ethyl butyrate 101.36
    methyl lactate 29.47
    butyl lactate 74.46
    diethyl carbonate 65.0
    propanediol butyl ether 27.63
    triethyl orthoformate 95.7
    p-tert-butyltoluene 24.33
    methyl 4-tert-butylbenzoate 128.13
    morpholine 68.45
    tert-butylamine 6.49
    n-dodecanol 7.79
    dimethoxymethane 48.2
    ethylene carbonate 106.93
    cyrene 76.37
    2-ethoxyethyl acetate 140.54
    2-ethylhexyl acetate 73.2
    1,2,4-trichlorobenzene 190.1
    4-methylpyridine 94.24
    dibutyl ether 52.04
    2,6-dimethyl-4-heptanol 12.89
    DEF 105.19
    dimethyl isosorbide 188.13
    tetrachloroethylene 208.57
    eugenol 73.08
    triacetin 170.55
    span 80 47.36
    1,4-butanediol 2.96
    1,1-dichloroethane 125.03
    2-methyl-1-pentanol 12.12
    methyl formate 25.55
    2-methyl-1-butanol 10.02
    n-decane 6.47
    butyronitrile 17.41
    3,7-dimethyl-1-octanol 19.36
    1-chlorooctane 31.16
    1-chlorotetradecane 9.35
    n-nonane 5.94
    undecane 3.85
    tert-butylcyclohexane 10.32
    cyclooctane 10.25
    cyclopentanol 25.6
    tetrahydropyran 83.43
    tert-amyl methyl ether 48.32
    2,5,8-trioxanonane 97.53
    1-hexene 15.83
    2-isopropoxyethanol 21.2
    2,2,2-trifluoroethanol 24.97
    methyl butyrate 117.76

    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