Hexanedioic acid, 1,6-di-2-propen-1-yl ester

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2998-04-1

    Molecular formula
    C12H18O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 91.96%
    Pineapple 56.96%
    Sweet 53.17%
    Winey 50.87%
    Apple 41.75%
    Tropical 39.87%
    Fatty 36.89%
    Green 36.63%
    Ethereal 36.22%
    Caramellic 31.71%

     

    Flavor
    Fruity 72.57%
    Pineapple 30.04%
    Fatty 29.25%
    Cheese 28.21%
    Berry 28.05%
    Grape 28.03%
    Buttery 27.15%
    Sweet 26.74%
    Creamy 26.46%
    Tropical 25.73%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.65 (neutral)

    Molecular weight
    226.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    285°C

    Flash point

    • 138.88 ˚C est.

  • Synonyms

    • DIALLYL ADIPATE
    • 2998-04-1
    • Allyl adipate
    • Hexanedioic acid, di-2-propenyl ester
    • Adipic acid, diallyl ester
    • Diallylester kyseliny adipove
    • EINECS 221-071-6
    • NSC 20973
    • Diallylester kyseliny adipove [Czech]
    • BRN 1790571
    • AI3-06065
    • DTXSID0062763
    • Hexanedioic acid, 1,6-di-2-propen-1-yl ester
    • 4-02-00-01967 (Beilstein Handbook Reference)
    • RefChem:786375
    • DTXCID7038107
    • 221-071-6
    • bis(prop-2-enyl) hexanedioate
    • MFCD00039826
    • Adipic Acid Diallyl Ester
    • diprop-2-enyl hexane-1,6-dioate
    • diallyladipate
    • Diallyl hexanedioate
    • Diallyl hexanedioate #
    • SCHEMBL153651
    • WLN: 1U2OV4VO2U1
    • Di(prop-2-en-1-yl) hexanedioate
    • NSC20973
    • AC5842
    • NSC-20973
    • SBB060953
    • AKOS024348860
    • Hexanedioic acid, bis(2-propenyl) ester
    • SY049054
    • DB-047683
    • A0824
    • NS00028819
    • ST50825763
    • Q63392852
    • 2998-04-1

  • Applications

    Hexanedioic acid, 1,6-di-2-propen-1-yl ester (CAS 2998-04-1) is used as di-allyl adipate, a difunctional allyl ester that acts as a crosslinking agent and reactive diluent in UV-curable coatings, inks, and adhesives. It serves as a functional monomer for radical polymerization to form networks in acrylate, polyurethane acrylate, and polyester resin systems. It is also used as an intermediate in the synthesis of specialty polymers and resin formulations for coatings and composite materials. In polymer formulations, it can help tune flexibility and processability by acting as a plasticizer/compatibilizer prior to curing, with performance depending on the curing mechanism and formulation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.63
    methanol 39.69
    isopropanol 24.05
    water 0.09
    ethyl acetate 71.05
    n-propanol 23.07
    acetone 119.09
    n-butanol 23.73
    acetonitrile 75.85
    DMF 185.51
    toluene 42.08
    isobutanol 20.05
    1,4-dioxane 106.7
    methyl acetate 83.39
    THF 187.04
    2-butanone 99.5
    n-pentanol 32.67
    sec-butanol 29.02
    n-hexane 7.19
    ethylene glycol 4.19
    NMP 196.25
    cyclohexane 10.19
    DMSO 260.7
    n-butyl acetate 64.16
    n-octanol 23.15
    chloroform 275.08
    n-propyl acetate 68.18
    acetic acid 77.19
    dichloromethane 277.64
    cyclohexanone 153.51
    propylene glycol 7.64
    isopropyl acetate 50.36
    DMAc 325.24
    2-ethoxyethanol 66.51
    isopentanol 29.18
    n-heptane 3.61
    ethyl formate 62.07
    1,2-dichloroethane 165.04
    n-hexanol 27.99
    2-methoxyethanol 68.6
    isobutyl acetate 42.1
    tetrachloromethane 22.97
    n-pentyl acetate 47.05
    transcutol 159.4
    n-heptanol 16.93
    ethylbenzene 39.13
    MIBK 53.64
    2-propoxyethanol 60.47
    tert-butanol 44.88
    MTBE 54.4
    2-butoxyethanol 40.67
    propionic acid 39.05
    o-xylene 40.6
    formic acid 20.95
    diethyl ether 43.51
    m-xylene 28.52
    p-xylene 58.99
    chlorobenzene 81.43
    dimethyl carbonate 29.46
    n-octane 3.5
    formamide 32.78
    cyclopentanone 175.99
    2-pentanone 71.91
    anisole 76.64
    cyclopentyl methyl ether 60.41
    gamma-butyrolactone 192.95
    1-methoxy-2-propanol 53.54
    pyridine 130.11
    3-pentanone 64.88
    furfural 194.75
    n-dodecane 3.88
    diethylene glycol 39.53
    diisopropyl ether 16.03
    tert-amyl alcohol 50.2
    acetylacetone 107.93
    n-hexadecane 4.43
    acetophenone 98.22
    methyl propionate 57.52
    isopentyl acetate 58.84
    trichloroethylene 304.06
    n-nonanol 23.14
    cyclohexanol 37.46
    benzyl alcohol 57.1
    2-ethylhexanol 24.42
    isooctanol 16.59
    dipropyl ether 30.07
    1,2-dichlorobenzene 87.12
    ethyl lactate 36.98
    propylene carbonate 109.47
    n-methylformamide 58.45
    2-pentanol 18.65
    n-pentane 3.68
    1-propoxy-2-propanol 44.27
    1-methoxy-2-propyl acetate 61.65
    2-(2-methoxypropoxy) propanol 65.15
    mesitylene 21.21
    ε-caprolactone 125.15
    p-cymene 22.34
    epichlorohydrin 197.19
    1,1,1-trichloroethane 128.83
    2-aminoethanol 11.08
    morpholine-4-carbaldehyde 152.99
    sulfolane 247.54
    2,2,4-trimethylpentane 5.13
    2-methyltetrahydrofuran 113.69
    n-hexyl acetate 65.95
    isooctane 2.68
    2-(2-butoxyethoxy)ethanol 71.09
    sec-butyl acetate 47.17
    tert-butyl acetate 60.68
    decalin 11.09
    glycerin 15.01
    diglyme 140.53
    acrylic acid 39.76
    isopropyl myristate 28.86
    n-butyric acid 57.33
    acetyl acetate 62.15
    di(2-ethylhexyl) phthalate 35.66
    ethyl propionate 65.13
    nitromethane 164.71
    1,2-diethoxyethane 70.78
    benzonitrile 87.01
    trioctyl phosphate 22.86
    1-bromopropane 80.65
    gamma-valerolactone 197.67
    n-decanol 18.02
    triethyl phosphate 41.84
    4-methyl-2-pentanol 16.78
    propionitrile 54.19
    vinylene carbonate 100.88
    1,1,2-trichlorotrifluoroethane 125.1
    DMS 57.6
    cumene 28.37
    2-octanol 15.44
    2-hexanone 82.37
    octyl acetate 36.51
    limonene 31.65
    1,2-dimethoxyethane 172.69
    ethyl orthosilicate 37.48
    tributyl phosphate 31.71
    diacetone alcohol 66.6
    N,N-dimethylaniline 62.91
    acrylonitrile 73.8
    aniline 39.66
    1,3-propanediol 22.21
    bromobenzene 91.24
    dibromomethane 173.55
    1,1,2,2-tetrachloroethane 239.73
    2-methyl-cyclohexyl acetate 55.71
    tetrabutyl urea 46.49
    diisobutyl methanol 18.86
    2-phenylethanol 45.7
    styrene 48.91
    dioctyl adipate 49.9
    dimethyl sulfate 65.89
    ethyl butyrate 58.38
    methyl lactate 31.42
    butyl lactate 39.49
    diethyl carbonate 45.79
    propanediol butyl ether 38.52
    triethyl orthoformate 45.06
    p-tert-butyltoluene 20.7
    methyl 4-tert-butylbenzoate 70.53
    morpholine 107.56
    tert-butylamine 26.62
    n-dodecanol 14.88
    dimethoxymethane 75.47
    ethylene carbonate 75.09
    cyrene 78.91
    2-ethoxyethyl acetate 62.3
    2-ethylhexyl acetate 48.22
    1,2,4-trichlorobenzene 98.06
    4-methylpyridine 131.94
    dibutyl ether 40.43
    2,6-dimethyl-4-heptanol 18.86
    DEF 103.11
    dimethyl isosorbide 114.22
    tetrachloroethylene 135.14
    eugenol 62.66
    triacetin 77.93
    span 80 50.9
    1,4-butanediol 14.65
    1,1-dichloroethane 132.04
    2-methyl-1-pentanol 38.57
    methyl formate 55.16
    2-methyl-1-butanol 25.39
    n-decane 5.98
    butyronitrile 57.45
    3,7-dimethyl-1-octanol 27.77
    1-chlorooctane 23.87
    1-chlorotetradecane 11.95
    n-nonane 5.47
    undecane 4.68
    tert-butylcyclohexane 8.42
    cyclooctane 3.6
    cyclopentanol 38.4
    tetrahydropyran 91.27
    tert-amyl methyl ether 50.17
    2,5,8-trioxanonane 112.83
    1-hexene 29.1
    2-isopropoxyethanol 49.84
    2,2,2-trifluoroethanol 29.1
    methyl butyrate 93.17

    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