Dipentyl fumarate

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  • Identifiers

    CAS number
    20314-74-3

    Molecular formula
    C14H24O4

    SMILES
    CCCCCOC(=O)/C=C/C(=O)OCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 67.56%
    Herbal 60.07%
    Winey 55.35%
    Green 43.43%
    Apple 42.17%
    Floral 41.02%
    Oily 39.45%
    Sweet 33.79%
    Fresh 32.39%
    Caramellic 27.69%

     

    Flavor
    Fruity 55.55%
    Green 37.92%
    Fatty 30.92%
    Waxy 28.78%
    Oily 26.66%
    Cheese 25.89%
    Tropical 25.61%
    Apple 25.31%
    Arrack 21.56%
    Cucumber skin 21.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    6.52 (neutral)

    Molecular weight
    256.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    306°C

    Flash point

    • 153.93 ˚C est.

  • Synonyms

    • Dipentyl fumarate
    • 20314-74-3
    • Di-N-amylfumarate
    • diamyl fumarate
    • dipentyl (E)-but-2-enedioate
    • 2-Butenedioic acid (2E)-, 1,4-dipentyl ester
    • MFCD00043669
    • 8WQZ5X9XLM
    • UNII-8WQZ5X9XLM
    • Fumaric acid dipentyl ester
    • NSC-58656
    • SCHEMBL555049
    • Dipentyl (2E)-2-butenedioate
    • CHEMBL3247952
    • Dipentyl (2E)-2-butenedioate #
    • DTXSID801360530
    • NSC 58656
    • SBB007709
    • AKOS015836352
    • dipentyl (2E)but-2-ene-1,4-dioate
    • 2-Butenedioic acid, dipentyl ester, (2E)-
    • NS00129625
    • Q27271131
    • 20314-74-3

  • Applications

    Dipentyl fumarate (CAS 20314-74-3) is primarily used as a plasticizer for vinyl polymers, notably PVC, to improve flexibility and processability. It is also employed as an intermediate in the synthesis of polyester and specialty polymers. In perfumery, it may be used as a fragrance ingredient or fixative, leveraging its ester structure and high boiling point. In coatings, inks, and related formulations, it can serve as a processing aid or co-solvent to adjust flow and film-forming properties. It may also be evaluated for use in cosmetics/personal care formulations as an aroma-related component, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 181.65
    methanol 256.58
    isopropanol 106.68
    water 0.14
    ethyl acetate 709.46
    n-propanol 136.64
    acetone 801.77
    n-butanol 123.07
    acetonitrile 568.02
    DMF 1960.97
    toluene 411.76
    isobutanol 101.06
    1,4-dioxane 456.43
    methyl acetate 676.58
    THF 1151.54
    2-butanone 724.95
    n-pentanol 109.96
    sec-butanol 131.35
    n-hexane 31.63
    ethylene glycol 25.82
    NMP 2627.54
    cyclohexane 50.48
    DMSO 1942.91
    n-butyl acetate 458.77
    n-octanol 46.93
    chloroform 1960.71
    n-propyl acetate 463.24
    acetic acid 456.87
    dichloromethane 2662.25
    cyclohexanone 1077.21
    propylene glycol 39.44
    isopropyl acetate 469.75
    DMAc 2367.07
    2-ethoxyethanol 308.98
    isopentanol 139.77
    n-heptane 11.24
    ethyl formate 314.88
    1,2-dichloroethane 1956.97
    n-hexanol 92.69
    2-methoxyethanol 448.91
    isobutyl acetate 257.09
    tetrachloromethane 221.83
    n-pentyl acetate 241.19
    transcutol 1250.21
    n-heptanol 44.39
    ethylbenzene 196.75
    MIBK 326.13
    2-propoxyethanol 290.35
    tert-butanol 175.85
    MTBE 343.47
    2-butoxyethanol 166.79
    propionic acid 296.62
    o-xylene 271.02
    formic acid 155.64
    diethyl ether 301.42
    m-xylene 225.01
    p-xylene 287.13
    chlorobenzene 746.51
    dimethyl carbonate 322.71
    n-octane 5.2
    formamide 426.3
    cyclopentanone 1538.32
    2-pentanone 559.83
    anisole 497.62
    cyclopentyl methyl ether 618.71
    gamma-butyrolactone 1819.15
    1-methoxy-2-propanol 336.48
    pyridine 1074.69
    3-pentanone 514.65
    furfural 1492.38
    n-dodecane 4.17
    diethylene glycol 186.66
    diisopropyl ether 102.79
    tert-amyl alcohol 194.9
    acetylacetone 959.57
    n-hexadecane 5.08
    acetophenone 651.93
    methyl propionate 592.0
    isopentyl acetate 421.35
    trichloroethylene 3488.0
    n-nonanol 47.74
    cyclohexanol 189.95
    benzyl alcohol 280.24
    2-ethylhexanol 81.28
    isooctanol 44.54
    dipropyl ether 137.16
    1,2-dichlorobenzene 857.46
    ethyl lactate 183.74
    propylene carbonate 877.58
    n-methylformamide 584.84
    2-pentanol 101.39
    n-pentane 18.41
    1-propoxy-2-propanol 224.71
    1-methoxy-2-propyl acetate 528.28
    2-(2-methoxypropoxy) propanol 279.65
    mesitylene 125.61
    ε-caprolactone 942.4
    p-cymene 95.23
    epichlorohydrin 2149.5
    1,1,1-trichloroethane 1348.26
    2-aminoethanol 75.69
    morpholine-4-carbaldehyde 1331.48
    sulfolane 2631.67
    2,2,4-trimethylpentane 19.68
    2-methyltetrahydrofuran 836.79
    n-hexyl acetate 290.38
    isooctane 10.69
    2-(2-butoxyethoxy)ethanol 318.61
    sec-butyl acetate 351.8
    tert-butyl acetate 519.29
    decalin 44.91
    glycerin 80.03
    diglyme 718.66
    acrylic acid 310.36
    isopropyl myristate 95.98
    n-butyric acid 416.73
    acetyl acetate 607.54
    di(2-ethylhexyl) phthalate 115.02
    ethyl propionate 499.01
    nitromethane 1497.78
    1,2-diethoxyethane 421.91
    benzonitrile 458.19
    trioctyl phosphate 62.13
    1-bromopropane 636.08
    gamma-valerolactone 1677.13
    n-decanol 32.79
    triethyl phosphate 200.96
    4-methyl-2-pentanol 71.92
    propionitrile 343.31
    vinylene carbonate 722.69
    1,1,2-trichlorotrifluoroethane 1195.14
    DMS 447.8
    cumene 123.9
    2-octanol 34.46
    2-hexanone 391.89
    octyl acetate 119.2
    limonene 140.02
    1,2-dimethoxyethane 700.08
    ethyl orthosilicate 176.25
    tributyl phosphate 118.84
    diacetone alcohol 420.81
    N,N-dimethylaniline 363.93
    acrylonitrile 558.15
    aniline 410.15
    1,3-propanediol 119.0
    bromobenzene 920.45
    dibromomethane 1474.1
    1,1,2,2-tetrachloroethane 2715.66
    2-methyl-cyclohexyl acetate 286.33
    tetrabutyl urea 158.61
    diisobutyl methanol 57.99
    2-phenylethanol 208.8
    styrene 301.11
    dioctyl adipate 193.41
    dimethyl sulfate 778.09
    ethyl butyrate 345.55
    methyl lactate 246.08
    butyl lactate 190.74
    diethyl carbonate 257.8
    propanediol butyl ether 148.13
    triethyl orthoformate 224.79
    p-tert-butyltoluene 90.84
    methyl 4-tert-butylbenzoate 308.04
    morpholine 710.4
    tert-butylamine 117.48
    n-dodecanol 23.97
    dimethoxymethane 657.39
    ethylene carbonate 555.87
    cyrene 338.46
    2-ethoxyethyl acetate 427.94
    2-ethylhexyl acetate 354.24
    1,2,4-trichlorobenzene 1020.81
    4-methylpyridine 1205.85
    dibutyl ether 126.0
    2,6-dimethyl-4-heptanol 57.99
    DEF 1029.84
    dimethyl isosorbide 661.41
    tetrachloroethylene 1529.18
    eugenol 267.63
    triacetin 391.56
    span 80 193.42
    1,4-butanediol 55.05
    1,1-dichloroethane 1307.21
    2-methyl-1-pentanol 142.2
    methyl formate 410.23
    2-methyl-1-butanol 140.74
    n-decane 7.29
    butyronitrile 296.81
    3,7-dimethyl-1-octanol 76.4
    1-chlorooctane 57.94
    1-chlorotetradecane 21.14
    n-nonane 6.65
    undecane 5.18
    tert-butylcyclohexane 33.01
    cyclooctane 15.19
    cyclopentanol 232.94
    tetrahydropyran 501.29
    tert-amyl methyl ether 326.47
    2,5,8-trioxanonane 484.63
    1-hexene 128.68
    2-isopropoxyethanol 232.02
    2,2,2-trifluoroethanol 218.36
    methyl butyrate 647.52

    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