Decanedioic acid, 1,10-di-2-propen-1-yl ester

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  • Identifiers

    CAS number
    3137-00-6

    Molecular formula
    C16H26O4

    SMILES
    C=CCOC(=O)CCCCCCCCC(=O)OCC=C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 90.15%
    Pineapple 58.0%
    Sweet 55.55%
    Fatty 55.48%
    Winey 51.79%
    Waxy 39.59%
    Oily 37.5%
    Peach 35.46%
    Buttery 35.11%
    Tropical 31.73%

     

    Flavor
    Fruity 78.9%
    Waxy 38.67%
    Pineapple 37.92%
    Tropical 36.39%
    Fatty 35.45%
    Green 33.32%
    Sweet 32.48%
    Apple 31.23%
    Berry 31.19%
    Oily 30.46%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    6.93 (neutral)

    Molecular weight
    282.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    338°C

    Flash point

    • 163.02 ˚C est.

  • Synonyms

    • Sebacic acid, diallyl ester
    • NSC 2290
    • EINECS 221-534-2
    • Decanedioic acid, 1,10-di-2-propen-1-yl ester
    • AI3-02109
    • RefChem:585380
    • Sebacic acid, diallyl ester (8CI)
    • Diallyl sebacate
    • 3137-00-6
    • Decanedioic acid, di-2-propenyl ester
    • bis(prop-2-enyl) decanedioate
    • NSC-2290
    • Diallyl decanedioate
    • 5UAF8JXW9H
    • SCHEMBL180289
    • DTXSID9062859
    • NSC2290
    • NUVBFTZPEYQYGI-UHFFFAOYSA-N
    • Di(prop-2-en-1-yl) decanedioate
    • 1,10-Di-2-propen-1-yl decanedioate
    • DB-254395
    • NS00029071
    • 3137-00-6

  • Applications

    Di-allyl sebacate (Decanedioic acid, 1,10-di-2-propen-1-yl ester; CAS 3137-00-6) is used mainly as a difunctional crosslinking agent and plasticizer for polymers. In UV-curable coatings, varnishes, adhesives, and inks, it acts as a reactive monomer with two allyl groups that participates in free-radical crosslinking under UV or heat to form a polymer network. It is also employed as a plasticizer for PVC and other thermoplastics to improve flexibility. Additionally, it serves as an intermediate in the synthesis of specialty polyesters and resins and can be used as a component in polymer networks or composite formulations where crosslinking and network formation are desired.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.93
    methanol 29.14
    isopropanol 18.14
    water 0.02
    ethyl acetate 105.95
    n-propanol 19.74
    acetone 139.41
    n-butanol 21.51
    acetonitrile 68.66
    DMF 212.24
    toluene 88.34
    isobutanol 18.43
    1,4-dioxane 121.88
    methyl acetate 99.38
    THF 391.94
    2-butanone 129.96
    n-pentanol 28.75
    sec-butanol 24.72
    n-hexane 8.46
    ethylene glycol 2.22
    NMP 411.15
    cyclohexane 22.16
    DMSO 359.82
    n-butyl acetate 104.49
    n-octanol 21.27
    chloroform 462.94
    n-propyl acetate 111.97
    acetic acid 71.54
    dichloromethane 564.79
    cyclohexanone 326.28
    propylene glycol 5.72
    isopropyl acetate 88.64
    DMAc 420.24
    2-ethoxyethanol 69.11
    isopentanol 29.58
    n-heptane 4.81
    ethyl formate 61.69
    1,2-dichloroethane 346.79
    n-hexanol 24.86
    2-methoxyethanol 66.34
    isobutyl acetate 68.23
    tetrachloromethane 46.5
    n-pentyl acetate 85.88
    transcutol 314.9
    n-heptanol 17.68
    ethylbenzene 56.11
    MIBK 94.22
    2-propoxyethanol 70.98
    tert-butanol 39.42
    MTBE 67.57
    2-butoxyethanol 54.45
    propionic acid 44.02
    o-xylene 67.22
    formic acid 15.71
    diethyl ether 56.04
    m-xylene 57.21
    p-xylene 79.29
    chlorobenzene 152.42
    dimethyl carbonate 41.83
    n-octane 3.33
    formamide 33.79
    cyclopentanone 379.21
    2-pentanone 114.35
    anisole 112.84
    cyclopentyl methyl ether 152.3
    gamma-butyrolactone 376.92
    1-methoxy-2-propanol 63.34
    pyridine 206.25
    3-pentanone 101.17
    furfural 304.67
    n-dodecane 2.99
    diethylene glycol 38.88
    diisopropyl ether 25.38
    tert-amyl alcohol 48.28
    acetylacetone 195.31
    n-hexadecane 3.57
    acetophenone 149.58
    methyl propionate 84.83
    isopentyl acetate 101.49
    trichloroethylene 610.51
    n-nonanol 22.4
    cyclohexanol 51.73
    benzyl alcohol 70.55
    2-ethylhexanol 27.29
    isooctanol 18.48
    dipropyl ether 44.48
    1,2-dichlorobenzene 166.46
    ethyl lactate 49.0
    propylene carbonate 192.84
    n-methylformamide 58.1
    2-pentanol 18.75
    n-pentane 4.42
    1-propoxy-2-propanol 59.59
    1-methoxy-2-propyl acetate 109.91
    2-(2-methoxypropoxy) propanol 87.57
    mesitylene 37.98
    ε-caprolactone 248.78
    p-cymene 30.89
    epichlorohydrin 429.27
    1,1,1-trichloroethane 265.46
    2-aminoethanol 8.05
    morpholine-4-carbaldehyde 241.18
    sulfolane 540.59
    2,2,4-trimethylpentane 6.59
    2-methyltetrahydrofuran 220.48
    n-hexyl acetate 99.3
    isooctane 3.54
    2-(2-butoxyethoxy)ethanol 99.95
    sec-butyl acetate 80.64
    tert-butyl acetate 118.5
    decalin 17.11
    glycerin 12.31
    diglyme 237.29
    acrylic acid 41.89
    isopropyl myristate 40.07
    n-butyric acid 76.13
    acetyl acetate 99.03
    di(2-ethylhexyl) phthalate 46.11
    ethyl propionate 98.77
    nitromethane 194.41
    1,2-diethoxyethane 117.8
    benzonitrile 107.39
    trioctyl phosphate 27.1
    1-bromopropane 140.49
    gamma-valerolactone 374.48
    n-decanol 16.3
    triethyl phosphate 61.67
    4-methyl-2-pentanol 18.14
    propionitrile 53.32
    vinylene carbonate 155.61
    1,1,2-trichlorotrifluoroethane 216.75
    DMS 95.79
    cumene 37.42
    2-octanol 15.14
    2-hexanone 112.13
    octyl acetate 50.07
    limonene 47.68
    1,2-dimethoxyethane 203.66
    ethyl orthosilicate 56.94
    tributyl phosphate 42.68
    diacetone alcohol 103.45
    N,N-dimethylaniline 84.1
    acrylonitrile 72.22
    aniline 66.36
    1,3-propanediol 16.47
    bromobenzene 186.42
    dibromomethane 327.87
    1,1,2,2-tetrachloroethane 493.33
    2-methyl-cyclohexyl acetate 94.06
    tetrabutyl urea 63.75
    diisobutyl methanol 21.11
    2-phenylethanol 57.64
    styrene 74.38
    dioctyl adipate 78.81
    dimethyl sulfate 106.42
    ethyl butyrate 95.21
    methyl lactate 43.01
    butyl lactate 61.42
    diethyl carbonate 67.42
    propanediol butyl ether 46.84
    triethyl orthoformate 71.59
    p-tert-butyltoluene 28.45
    methyl 4-tert-butylbenzoate 107.04
    morpholine 154.71
    tert-butylamine 24.64
    n-dodecanol 12.63
    dimethoxymethane 110.48
    ethylene carbonate 120.42
    cyrene 113.53
    2-ethoxyethyl acetate 118.6
    2-ethylhexyl acetate 84.64
    1,2,4-trichlorobenzene 200.05
    4-methylpyridine 214.07
    dibutyl ether 55.98
    2,6-dimethyl-4-heptanol 21.11
    DEF 158.16
    dimethyl isosorbide 201.22
    tetrachloroethylene 280.27
    eugenol 86.48
    triacetin 135.58
    span 80 73.13
    1,4-butanediol 10.61
    1,1-dichloroethane 244.29
    2-methyl-1-pentanol 38.99
    methyl formate 52.09
    2-methyl-1-butanol 27.24
    n-decane 5.16
    butyronitrile 59.19
    3,7-dimethyl-1-octanol 27.68
    1-chlorooctane 27.86
    1-chlorotetradecane 11.39
    n-nonane 4.61
    undecane 3.76
    tert-butylcyclohexane 11.53
    cyclooctane 7.04
    cyclopentanol 57.9
    tetrahydropyran 152.47
    tert-amyl methyl ether 69.7
    2,5,8-trioxanonane 162.07
    1-hexene 31.45
    2-isopropoxyethanol 57.63
    2,2,2-trifluoroethanol 30.64
    methyl butyrate 145.42

    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