Piperazine bisferulate

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  • Identifiers

    CAS number
    96585-18-1

    Molecular formula
    C24H30N2O8

    SMILES
    COC1=C(C=CC(=C1)/C=C/C(=O)O)O.COC1=C(C=CC(=C1)/C=C/C(=O)O)O.C1NCCNC1

    Safety labels

  • Odor profile

    Fragrance
    Vanilla 58.09%
    Balsamic 54.06%
    Spicy 48.98%
    Sweet 47.23%
    Phenolic 45.65%
    Creamy 39.39%
    Odorless 38.38%
    Milky 34.06%
    Burnt 30.24%
    Caramellic 30.19%

     

    Flavor
    Odorless 41.96%
    Sweet 39.34%
    Phenolic 31.94%
    Faint 31.46%
    Mild 31.38%
    Balsam 30.37%
    Balsamic 29.4%
    Powdery 26.26%
    Vanilla 25.73%
    Creamy 24.15%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.64 (weak base)

    Molecular weight
    474.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    366°C

    Flash point

    • 177.14 ˚C est.

  • Synonyms

    • Piperazine bisferulate
    • Oristar PRF
    • UNII-OU4LRY06IK
    • OU4LRY06IK
    • Piperazine bisferulate [INCI]
    • 96585-18-1
    • Piperazine, bis(3-(4-hydroxy-3-methoxyphenyl)-2-propenoate)
    • DTXSID00242347
    • PIPERAZINE FERULATE [WHO-DD]
    • RefChem:174395
    • DTXCID00164838
    • Piperazine ferulate
    • Piperazine bis(3-(4-hydroxy-3-methoxyphenyl)acrylate)
    • Q27285842
    • (2E)-3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoic acid--piperazine (2/1)
    • 96585-18-1

  • Applications

    Piperazine bisferulate (CAS 96585-18-1) is used primarily as a multifunctional building block and curing component in polymer formulations: it acts as a reactive diamine-based curing agent for epoxy resins, enabling crosslinking in coatings, adhesives, and composite systems; the ferulate groups impart antioxidant activity and potential UV stabilization to polymers and coatings, aiding aging resistance; it serves as a biobased intermediate for the synthesis of piperazine-containing compounds in pharmaceuticals or agrochemicals; it can function as a precursor for biobased resin systems and polymer blends; and it may be encountered as an intermediate in the synthesis of specialty chemicals, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 76.52
    methanol 112.56
    isopropanol 47.3
    water 0.54
    ethyl acetate 25.57
    n-propanol 40.58
    acetone 124.17
    n-butanol 32.14
    acetonitrile 16.0
    DMF 175.52
    toluene 5.76
    isobutanol 23.81
    1,4-dioxane 73.09
    methyl acetate 39.63
    THF 369.53
    2-butanone 51.99
    n-pentanol 32.04
    sec-butanol 34.74
    n-hexane 0.54
    ethylene glycol 68.2
    NMP 59.46
    cyclohexane 0.37
    DMSO 219.0
    n-butyl acetate 17.69
    n-octanol 17.3
    chloroform 5.0
    n-propyl acetate 22.72
    acetic acid 38.27
    dichloromethane 7.28
    cyclohexanone 37.97
    propylene glycol 59.99
    isopropyl acetate 18.36
    DMAc 154.31
    2-ethoxyethanol 127.26
    isopentanol 30.34
    n-heptane 1.25
    ethyl formate 24.61
    1,2-dichloroethane 10.96
    n-hexanol 30.37
    2-methoxyethanol 180.05
    isobutyl acetate 11.76
    tetrachloromethane 1.19
    n-pentyl acetate 13.61
    transcutol 79.06
    n-heptanol 19.58
    ethylbenzene 5.73
    MIBK 30.97
    2-propoxyethanol 88.41
    tert-butanol 147.2
    MTBE 35.66
    2-butoxyethanol 44.44
    propionic acid 25.47
    o-xylene 6.93
    formic acid 66.31
    diethyl ether 18.06
    m-xylene 7.13
    p-xylene 6.29
    chlorobenzene 4.32
    dimethyl carbonate 24.52
    n-octane 1.11
    formamide 127.74
    cyclopentanone 94.14
    2-pentanone 41.09
    anisole 28.39
    cyclopentyl methyl ether 38.77
    gamma-butyrolactone 95.45
    1-methoxy-2-propanol 117.34
    pyridine 21.69
    3-pentanone 18.92
    furfural 57.09
    n-dodecane 1.37
    diethylene glycol 108.86
    diisopropyl ether 6.68
    tert-amyl alcohol 72.05
    acetylacetone 49.08
    n-hexadecane 1.46
    acetophenone 26.06
    methyl propionate 32.15
    isopentyl acetate 19.61
    trichloroethylene 15.11
    n-nonanol 17.35
    cyclohexanol 21.42
    benzyl alcohol 29.84
    2-ethylhexanol 15.73
    isooctanol 16.48
    dipropyl ether 14.01
    1,2-dichlorobenzene 5.49
    ethyl lactate 26.97
    propylene carbonate 29.62
    n-methylformamide 86.43
    2-pentanol 22.13
    n-pentane 0.34
    1-propoxy-2-propanol 50.09
    1-methoxy-2-propyl acetate 34.58
    2-(2-methoxypropoxy) propanol 48.28
    mesitylene 5.4
    ε-caprolactone 33.11
    p-cymene 6.22
    epichlorohydrin 99.37
    1,1,1-trichloroethane 6.47
    2-aminoethanol 76.6
    morpholine-4-carbaldehyde 87.02
    sulfolane 120.68
    2,2,4-trimethylpentane 0.89
    2-methyltetrahydrofuran 76.71
    n-hexyl acetate 18.63
    isooctane 0.85
    2-(2-butoxyethoxy)ethanol 56.92
    sec-butyl acetate 14.59
    tert-butyl acetate 34.43
    decalin 1.03
    glycerin 100.26
    diglyme 85.06
    acrylic acid 22.93
    isopropyl myristate 11.69
    n-butyric acid 28.58
    acetyl acetate 13.01
    di(2-ethylhexyl) phthalate 13.45
    ethyl propionate 20.15
    nitromethane 88.26
    1,2-diethoxyethane 26.58
    benzonitrile 15.0
    trioctyl phosphate 11.63
    1-bromopropane 5.1
    gamma-valerolactone 88.74
    n-decanol 15.14
    triethyl phosphate 14.43
    4-methyl-2-pentanol 17.83
    propionitrile 16.81
    vinylene carbonate 23.25
    1,1,2-trichlorotrifluoroethane 55.0
    DMS 18.81
    cumene 5.78
    2-octanol 13.38
    2-hexanone 27.88
    octyl acetate 15.26
    limonene 7.98
    1,2-dimethoxyethane 130.78
    ethyl orthosilicate 13.12
    tributyl phosphate 12.04
    diacetone alcohol 73.59
    N,N-dimethylaniline 22.26
    acrylonitrile 23.39
    aniline 15.47
    1,3-propanediol 87.02
    bromobenzene 3.26
    dibromomethane 4.2
    1,1,2,2-tetrachloroethane 14.68
    2-methyl-cyclohexyl acetate 18.45
    tetrabutyl urea 20.25
    diisobutyl methanol 12.74
    2-phenylethanol 27.25
    styrene 5.86
    dioctyl adipate 17.51
    dimethyl sulfate 49.75
    ethyl butyrate 16.44
    methyl lactate 41.32
    butyl lactate 18.19
    diethyl carbonate 12.44
    propanediol butyl ether 36.24
    triethyl orthoformate 14.74
    p-tert-butyltoluene 6.66
    methyl 4-tert-butylbenzoate 31.36
    morpholine 103.98
    tert-butylamine 36.8
    n-dodecanol 12.62
    dimethoxymethane 122.02
    ethylene carbonate 18.54
    cyrene 47.83
    2-ethoxyethyl acetate 22.96
    2-ethylhexyl acetate 13.03
    1,2,4-trichlorobenzene 7.58
    4-methylpyridine 22.25
    dibutyl ether 12.52
    2,6-dimethyl-4-heptanol 12.74
    DEF 37.77
    dimethyl isosorbide 67.85
    tetrachloroethylene 8.45
    eugenol 34.16
    triacetin 22.57
    span 80 30.52
    1,4-butanediol 47.79
    1,1-dichloroethane 6.65
    2-methyl-1-pentanol 26.34
    methyl formate 73.6
    2-methyl-1-butanol 24.08
    n-decane 1.79
    butyronitrile 17.54
    3,7-dimethyl-1-octanol 16.21
    1-chlorooctane 6.76
    1-chlorotetradecane 3.87
    n-nonane 1.5
    undecane 1.57
    tert-butylcyclohexane 1.22
    cyclooctane 0.41
    cyclopentanol 36.02
    tetrahydropyran 34.4
    tert-amyl methyl ether 30.13
    2,5,8-trioxanonane 79.74
    1-hexene 3.53
    2-isopropoxyethanol 70.57
    2,2,2-trifluoroethanol 22.85
    methyl butyrate 27.74

    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