Bis(pent-4-enyl) butanedioate

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  • Identifiers

    CAS number
    6624-62-0

    Molecular formula
    C14H22O4

    SMILES
    C=CCCCOC(=O)CCC(=O)OCCCC=C

  • Odor profile

    Fragrance
    Fruity 87.01%
    Green 58.88%
    Pineapple 56.3%
    Sweet 45.25%
    Tropical 43.26%
    Winey 35.85%
    Caramellic 33.15%
    Herbal 31.11%
    Waxy 30.93%
    Apple 29.62%

     

    Flavor
    Fruity 77.09%
    Green 43.24%
    Pineapple 41.78%
    Tropical 41.34%
    Apple 35.53%
    Pear 32.24%
    Sweet 31.65%
    Waxy 30.29%
    Fatty 28.1%
    Berry 27.12%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    6.62 (neutral)

    Molecular weight
    254.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    290°C

    Flash point

    • 154.36 ˚C est.

  • Synonyms

    • bis(pent-4-enyl) butanedioate
    • 6624-62-0
    • DTXSID00288008
    • NSC53809
    • Butanedioic acid,1,4-di-4-penten-1-yl ester
    • SCHEMBL23797438
    • DTXCID40239155
    • LYTLDAKHQAIDJL-UHFFFAOYSA-N
    • DIPENT-4-ENYL BUTANEDIOATE
    • NSC-53809
    • Succinic acid, di(pent-4-enyl) ester
    • DS-007322

  • Applications

    Bis(pent-4-enyl) butanedioate (CAS 6624-62-0) is the diester of succinic acid bearing two pent-4-enyl groups, typically considered as a reactive monomer/diluent for polymer formulations with vinyl functionality. In industry, practical applications include: serving as a reactive diluent and crosslinkable monomer in UV-curable coatings, inks, and adhesives to reduce viscosity and promote network formation; acting as a building block in the synthesis of polyesters or polyurethanes to form crosslinked networks; functioning as a plasticizer or formulation modifier to adjust flexibility and processability of polymers; used as an intermediate in the synthesis of specialty polymers or bio-based materials derived from succinic acid; and the vinyl group enables further functionalization (e.g., thiol-ene or oxidation) to expand formulation chemistries, and it is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 34.74
    methanol 53.83
    isopropanol 25.73
    water 0.15
    ethyl acetate 150.57
    n-propanol 27.33
    acetone 212.88
    n-butanol 25.55
    acetonitrile 156.25
    DMF 465.26
    toluene 93.33
    isobutanol 22.84
    1,4-dioxane 147.67
    methyl acetate 183.95
    THF 339.27
    2-butanone 180.53
    n-pentanol 32.06
    sec-butanol 31.74
    n-hexane 10.75
    ethylene glycol 5.94
    NMP 679.0
    cyclohexane 12.57
    DMSO 679.85
    n-butyl acetate 112.32
    n-octanol 15.25
    chloroform 510.14
    n-propyl acetate 121.02
    acetic acid 145.08
    dichloromethane 654.98
    cyclohexanone 279.3
    propylene glycol 8.22
    isopropyl acetate 101.81
    DMAc 876.35
    2-ethoxyethanol 101.5
    isopentanol 32.65
    n-heptane 4.02
    ethyl formate 83.1
    1,2-dichloroethane 396.91
    n-hexanol 23.76
    2-methoxyethanol 115.12
    isobutyl acetate 65.67
    tetrachloromethane 51.41
    n-pentyl acetate 58.11
    transcutol 459.99
    n-heptanol 13.24
    ethylbenzene 64.79
    MIBK 79.8
    2-propoxyethanol 81.4
    tert-butanol 47.79
    MTBE 95.19
    2-butoxyethanol 49.08
    propionic acid 77.42
    o-xylene 78.65
    formic acid 46.21
    diethyl ether 74.72
    m-xylene 55.8
    p-xylene 89.89
    chlorobenzene 163.67
    dimethyl carbonate 83.5
    n-octane 2.04
    formamide 113.28
    cyclopentanone 376.22
    2-pentanone 120.01
    anisole 157.13
    cyclopentyl methyl ether 139.17
    gamma-butyrolactone 474.22
    1-methoxy-2-propanol 84.04
    pyridine 258.74
    3-pentanone 133.03
    furfural 422.92
    n-dodecane 1.84
    diethylene glycol 53.73
    diisopropyl ether 27.76
    tert-amyl alcohol 59.53
    acetylacetone 243.01
    n-hexadecane 2.18
    acetophenone 198.07
    methyl propionate 133.39
    isopentyl acetate 105.52
    trichloroethylene 783.89
    n-nonanol 16.24
    cyclohexanol 45.17
    benzyl alcohol 80.86
    2-ethylhexanol 23.54
    isooctanol 13.21
    dipropyl ether 44.13
    1,2-dichlorobenzene 196.01
    ethyl lactate 53.17
    propylene carbonate 229.31
    n-methylformamide 131.44
    2-pentanol 22.06
    n-pentane 4.8
    1-propoxy-2-propanol 60.69
    1-methoxy-2-propyl acetate 126.84
    2-(2-methoxypropoxy) propanol 104.91
    mesitylene 33.87
    ε-caprolactone 264.92
    p-cymene 30.12
    epichlorohydrin 492.38
    1,1,1-trichloroethane 294.88
    2-aminoethanol 16.31
    morpholine-4-carbaldehyde 400.94
    sulfolane 651.46
    2,2,4-trimethylpentane 6.68
    2-methyltetrahydrofuran 214.65
    n-hexyl acetate 78.06
    isooctane 3.16
    2-(2-butoxyethoxy)ethanol 111.19
    sec-butyl acetate 87.08
    tert-butyl acetate 118.64
    decalin 14.45
    glycerin 21.7
    diglyme 265.04
    acrylic acid 82.02
    isopropyl myristate 33.06
    n-butyric acid 96.95
    acetyl acetate 158.65
    di(2-ethylhexyl) phthalate 41.85
    ethyl propionate 120.35
    nitromethane 433.77
    1,2-diethoxyethane 131.08
    benzonitrile 126.36
    trioctyl phosphate 21.49
    1-bromopropane 141.11
    gamma-valerolactone 441.88
    n-decanol 11.57
    triethyl phosphate 72.58
    4-methyl-2-pentanol 18.6
    propionitrile 80.66
    vinylene carbonate 200.38
    1,1,2-trichlorotrifluoroethane 299.78
    DMS 124.18
    cumene 41.84
    2-octanol 9.84
    2-hexanone 111.78
    octyl acetate 39.36
    limonene 44.01
    1,2-dimethoxyethane 268.99
    ethyl orthosilicate 63.33
    tributyl phosphate 40.96
    diacetone alcohol 102.42
    N,N-dimethylaniline 122.1
    acrylonitrile 130.37
    aniline 95.03
    1,3-propanediol 27.19
    bromobenzene 192.75
    dibromomethane 355.08
    1,1,2,2-tetrachloroethane 596.07
    2-methyl-cyclohexyl acetate 90.66
    tetrabutyl urea 60.67
    diisobutyl methanol 18.63
    2-phenylethanol 58.05
    styrene 93.35
    dioctyl adipate 71.34
    dimethyl sulfate 235.58
    ethyl butyrate 100.53
    methyl lactate 63.03
    butyl lactate 51.73
    diethyl carbonate 85.46
    propanediol butyl ether 47.36
    triethyl orthoformate 77.56
    p-tert-butyltoluene 27.29
    methyl 4-tert-butylbenzoate 111.46
    morpholine 188.76
    tert-butylamine 32.08
    n-dodecanol 8.75
    dimethoxymethane 170.99
    ethylene carbonate 145.94
    cyrene 126.47
    2-ethoxyethyl acetate 109.03
    2-ethylhexyl acetate 89.32
    1,2,4-trichlorobenzene 244.12
    4-methylpyridine 295.66
    dibutyl ether 43.4
    2,6-dimethyl-4-heptanol 18.63
    DEF 249.38
    dimethyl isosorbide 236.69
    tetrachloroethylene 334.76
    eugenol 88.8
    triacetin 139.09
    span 80 65.97
    1,4-butanediol 16.1
    1,1-dichloroethane 285.49
    2-methyl-1-pentanol 43.99
    methyl formate 103.64
    2-methyl-1-butanol 32.46
    n-decane 3.19
    butyronitrile 70.52
    3,7-dimethyl-1-octanol 23.87
    1-chlorooctane 18.27
    1-chlorotetradecane 7.49
    n-nonane 2.8
    undecane 2.33
    tert-butylcyclohexane 10.78
    cyclooctane 4.44
    cyclopentanol 53.31
    tetrahydropyran 128.81
    tert-amyl methyl ether 92.52
    2,5,8-trioxanonane 194.69
    1-hexene 37.26
    2-isopropoxyethanol 72.63
    2,2,2-trifluoroethanol 68.48
    methyl butyrate 166.86

    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