Ditridecyl fumarate

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  • Identifiers

    CAS number
    6864-32-0

    Molecular formula
    C30H56O4

    SMILES
    CCCCCCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 60.0%
    Waxy 53.88%
    Oily 52.74%
    Odorless 33.46%
    Fruity 29.48%
    Sweet 26.71%
    Buttery 24.61%
    Milky 23.38%
    Creamy 23.27%
    Dairy 21.1%

     

    Flavor
    Waxy 52.81%
    Oily 40.83%
    Fatty 39.84%
    Mild 35.31%
    Bland 28.55%
    Faint 27.72%
    Soapy 27.34%
    Creamy 27.06%
    Fruity 26.76%
    Fat 23.28%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.5

    pKa est.
    8.33 (weak base)

    Molecular weight
    480.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    518°C

    Flash point

    • 232.11 ˚C est.

  • Synonyms

    • DITRIDECYL FUMARATE
    • 6864-32-0
    • FA6URM461D
    • 2-Butenedioic acid (2E)-, 1,4-ditridecyl ester
    • 2-Butenedioic acid (2E)-, ditridecyl ester
    • DTXSID701245555
    • 2-BUTENEDIOICACID (2E)-, DITRIDECYL ESTER
    • RefChem:589852
    • DTXCID60910070
    • ditridecyl (E)-but-2-enedioate
    • UNII-FA6URM461D
    • Fumaric acid, ditridecyl ester
    • SCHEMBL1013503
    • Ditridecyl (2E)-but-2-enedioate
    • DB-254569
    • Q27277885
    • 6864-32-0

  • Applications

    Ditridecyl fumarate, CAS 6864-32-0, is primarily used as a plasticizer for PVC and other polymers to improve flexibility and processability. It is also employed as a processing aid or co-plasticizer in coatings and inks to enhance the flexibility and durability of the coating system. Additionally, it can serve as an intermediate in the synthesis of specialty fumarate esters for additive formulations in plastics and coatings, and in manufacturing it may be used as a plasticizing component in adhesive systems and polymer formulations depending on performance requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.32
    methanol 4.39
    isopropanol 3.28
    water 0.07
    ethyl acetate 76.04
    n-propanol 5.36
    acetone 40.71
    n-butanol 5.53
    acetonitrile 17.92
    DMF 86.52
    toluene 36.87
    isobutanol 5.15
    1,4-dioxane 57.31
    methyl acetate 56.17
    THF 194.58
    2-butanone 62.36
    n-pentanol 7.12
    sec-butanol 7.47
    n-hexane 6.5
    ethylene glycol 0.65
    NMP 451.38
    cyclohexane 23.31
    DMSO 105.03
    n-butyl acetate 66.95
    n-octanol 13.67
    chloroform 352.2
    n-propyl acetate 86.79
    acetic acid 25.1
    dichloromethane 418.97
    cyclohexanone 207.76
    propylene glycol 1.56
    isopropyl acetate 72.44
    DMAc 305.34
    2-ethoxyethanol 23.44
    isopentanol 7.94
    n-heptane 5.74
    ethyl formate 28.7
    1,2-dichloroethane 209.28
    n-hexanol 6.31
    2-methoxyethanol 18.6
    isobutyl acetate 51.19
    tetrachloromethane 67.17
    n-pentyl acetate 119.47
    transcutol 188.39
    n-heptanol 10.53
    ethylbenzene 29.84
    MIBK 52.2
    2-propoxyethanol 23.68
    tert-butanol 8.49
    MTBE 35.76
    2-butoxyethanol 40.56
    propionic acid 23.03
    o-xylene 41.06
    formic acid 6.38
    diethyl ether 24.65
    m-xylene 29.15
    p-xylene 45.92
    chlorobenzene 86.62
    dimethyl carbonate 37.31
    n-octane 3.87
    formamide 15.03
    cyclopentanone 244.35
    2-pentanone 56.74
    anisole 63.76
    cyclopentyl methyl ether 114.86
    gamma-butyrolactone 268.08
    1-methoxy-2-propanol 22.9
    pyridine 102.06
    3-pentanone 72.25
    furfural 187.94
    n-dodecane 2.25
    diethylene glycol 8.26
    diisopropyl ether 18.02
    tert-amyl alcohol 17.5
    acetylacetone 115.63
    n-hexadecane 2.79
    acetophenone 109.65
    methyl propionate 65.46
    isopentyl acetate 72.24
    trichloroethylene 462.82
    n-nonanol 16.02
    cyclohexanol 22.18
    benzyl alcohol 24.11
    2-ethylhexanol 11.91
    isooctanol 13.41
    dipropyl ether 37.0
    1,2-dichlorobenzene 150.11
    ethyl lactate 33.47
    propylene carbonate 159.38
    n-methylformamide 27.14
    2-pentanol 6.79
    n-pentane 3.32
    1-propoxy-2-propanol 31.9
    1-methoxy-2-propyl acetate 93.06
    2-(2-methoxypropoxy) propanol 63.27
    mesitylene 24.56
    ε-caprolactone 210.99
    p-cymene 23.41
    epichlorohydrin 252.46
    1,1,1-trichloroethane 264.9
    2-aminoethanol 2.2
    morpholine-4-carbaldehyde 176.47
    sulfolane 562.56
    2,2,4-trimethylpentane 6.58
    2-methyltetrahydrofuran 144.06
    n-hexyl acetate 107.31
    isooctane 2.85
    2-(2-butoxyethoxy)ethanol 62.26
    sec-butyl acetate 78.62
    tert-butyl acetate 117.0
    decalin 14.39
    glycerin 3.88
    diglyme 194.71
    acrylic acid 20.72
    isopropyl myristate 35.99
    n-butyric acid 43.5
    acetyl acetate 83.37
    di(2-ethylhexyl) phthalate 31.17
    ethyl propionate 95.17
    nitromethane 99.94
    1,2-diethoxyethane 95.47
    benzonitrile 44.48
    trioctyl phosphate 19.46
    1-bromopropane 79.37
    gamma-valerolactone 275.21
    n-decanol 9.95
    triethyl phosphate 73.2
    4-methyl-2-pentanol 7.27
    propionitrile 18.8
    vinylene carbonate 118.32
    1,1,2-trichlorotrifluoroethane 175.96
    DMS 88.35
    cumene 23.66
    2-octanol 12.22
    2-hexanone 67.58
    octyl acetate 42.83
    limonene 39.7
    1,2-dimethoxyethane 90.65
    ethyl orthosilicate 68.03
    tributyl phosphate 34.24
    diacetone alcohol 69.78
    N,N-dimethylaniline 59.02
    acrylonitrile 25.07
    aniline 28.51
    1,3-propanediol 4.2
    bromobenzene 124.36
    dibromomethane 208.13
    1,1,2,2-tetrachloroethane 439.94
    2-methyl-cyclohexyl acetate 89.56
    tetrabutyl urea 58.51
    diisobutyl methanol 12.61
    2-phenylethanol 20.21
    styrene 35.67
    dioctyl adipate 73.44
    dimethyl sulfate 130.43
    ethyl butyrate 92.92
    methyl lactate 26.8
    butyl lactate 66.7
    diethyl carbonate 61.3
    propanediol butyl ether 26.79
    triethyl orthoformate 87.22
    p-tert-butyltoluene 22.39
    methyl 4-tert-butylbenzoate 124.63
    morpholine 69.88
    tert-butylamine 7.14
    n-dodecanol 6.9
    dimethoxymethane 47.71
    ethylene carbonate 98.52
    cyrene 79.61
    2-ethoxyethyl acetate 141.43
    2-ethylhexyl acetate 71.2
    1,2,4-trichlorobenzene 210.5
    4-methylpyridine 100.22
    dibutyl ether 51.55
    2,6-dimethyl-4-heptanol 12.61
    DEF 113.93
    dimethyl isosorbide 204.02
    tetrachloroethylene 247.11
    eugenol 78.67
    triacetin 173.48
    span 80 47.84
    1,4-butanediol 2.76
    1,1-dichloroethane 143.32
    2-methyl-1-pentanol 12.26
    methyl formate 24.57
    2-methyl-1-butanol 9.09
    n-decane 5.35
    butyronitrile 18.01
    3,7-dimethyl-1-octanol 18.45
    1-chlorooctane 28.97
    1-chlorotetradecane 8.51
    n-nonane 4.86
    undecane 3.23
    tert-butylcyclohexane 9.87
    cyclooctane 8.12
    cyclopentanol 24.71
    tetrahydropyran 79.15
    tert-amyl methyl ether 50.15
    2,5,8-trioxanonane 109.94
    1-hexene 14.51
    2-isopropoxyethanol 22.73
    2,2,2-trifluoroethanol 23.74
    methyl butyrate 126.15

    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