N1-Feruloylspermidine

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  • Identifiers

    CAS number
    70185-60-3

    Molecular formula
    C17H27N3O3

    SMILES
    COC1=C(C=CC(=C1)/C=C/C(=O)NCCCCNCCCN)O

    Safety labels

  • Odor profile

    Fragrance
    Fishy 48.93%
    Meaty 44.66%
    Odorless 44.49%
    Savory 43.47%
    Cheesy 28.91%
    Cooling 25.43%
    Animal 22.9%
    Cooked 22.03%
    Ripe 21.75%
    Pungent 20.51%

     

    Flavor
    Odorless 45.57%
    Bitter 42.26%
    Mild 31.19%
    Bland 29.51%
    Sweet-like 21.02%
    Faint 20.71%
    Nitrile 20.36%
    Cedarleaf 19.44%
    Parsley 19.1%
    Orange flower 19.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    9.48 (weak base)

    Molecular weight
    321.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    660°C

    Flash point

    • 227.08 ˚C est.

  • Synonyms

    • N1-Feruloylspermidine
    • 70185-60-3
    • feruloylspermidine
    • SCHEMBL30565245
    • 70185-60-3

  • Applications

    N1-Feruloylspermidine (CAS 70185-60-3) is a hydroxycinnamic acid amide formed from ferulic acid and spermidine. In industry it is typically viewed as a biobased building block and functional additive with potential antioxidant relevance. In cosmetics and personal care, it may be used as a natural antioxidant and a polyamine-derived active in formulations. In polymers and plastics, it can serve as a biobased functional modifier or stabilizer to enhance oxidative stability or enable grafting into polymer matrices. In coatings and inks, it is studied as an antioxidant/stabilizer additive to prolong durability under light exposure. In agriculture, it is investigated as a plant-derived bioactive with antimicrobial/antioxidant properties for inclusion in crop protection formulations or seed treatments. In pharmaceutical research, it can function as a chemical intermediate for the synthesis of functionalized polyamine conjugates or natural product–inspired compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 32.1
    methanol 129.89
    isopropanol 9.6
    water 22.05
    ethyl acetate 10.59
    n-propanol 17.13
    acetone 23.7
    n-butanol 11.54
    acetonitrile 7.0
    DMF 102.87
    toluene 2.23
    isobutanol 8.65
    1,4-dioxane 18.97
    methyl acetate 8.05
    THF 41.09
    2-butanone 10.43
    n-pentanol 10.37
    sec-butanol 7.52
    n-hexane 0.16
    ethylene glycol 63.4
    NMP 86.5
    cyclohexane 0.47
    DMSO 577.96
    n-butyl acetate 2.44
    n-octanol 2.93
    chloroform 13.35
    n-propyl acetate 4.74
    acetic acid 227.5
    dichloromethane 13.49
    cyclohexanone 32.47
    propylene glycol 69.21
    isopropyl acetate 5.0
    DMAc 158.5
    2-ethoxyethanol 74.1
    isopentanol 7.71
    n-heptane 0.21
    ethyl formate 19.8
    1,2-dichloroethane 10.28
    n-hexanol 5.19
    2-methoxyethanol 143.9
    isobutyl acetate 3.01
    tetrachloromethane 3.19
    n-pentyl acetate 3.04
    transcutol 69.06
    n-heptanol 4.6
    ethylbenzene 1.13
    MIBK 4.83
    2-propoxyethanol 28.67
    tert-butanol 9.34
    MTBE 2.05
    2-butoxyethanol 19.42
    propionic acid 38.81
    o-xylene 2.28
    formic acid 351.71
    diethyl ether 1.86
    m-xylene 1.89
    p-xylene 1.52
    chlorobenzene 3.27
    dimethyl carbonate 11.73
    n-octane 0.19
    formamide 304.42
    cyclopentanone 43.83
    2-pentanone 8.24
    anisole 3.6
    cyclopentyl methyl ether 7.44
    gamma-butyrolactone 58.74
    1-methoxy-2-propanol 58.82
    pyridine 15.39
    3-pentanone 6.1
    furfural 69.1
    n-dodecane 0.15
    diethylene glycol 66.51
    diisopropyl ether 0.66
    tert-amyl alcohol 8.27
    acetylacetone 22.23
    n-hexadecane 0.17
    acetophenone 8.51
    methyl propionate 11.94
    isopentyl acetate 2.99
    trichloroethylene 23.27
    n-nonanol 3.15
    cyclohexanol 12.29
    benzyl alcohol 13.85
    2-ethylhexanol 2.54
    isooctanol 3.64
    dipropyl ether 1.63
    1,2-dichlorobenzene 4.09
    ethyl lactate 12.96
    propylene carbonate 23.52
    n-methylformamide 81.74
    2-pentanol 3.98
    n-pentane 0.17
    1-propoxy-2-propanol 12.79
    1-methoxy-2-propyl acetate 8.7
    2-(2-methoxypropoxy) propanol 16.47
    mesitylene 1.16
    ε-caprolactone 25.01
    p-cymene 1.06
    epichlorohydrin 38.72
    1,1,1-trichloroethane 5.85
    2-aminoethanol 84.33
    morpholine-4-carbaldehyde 72.36
    sulfolane 119.54
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 9.99
    n-hexyl acetate 3.78
    isooctane 0.1
    2-(2-butoxyethoxy)ethanol 24.54
    sec-butyl acetate 2.72
    tert-butyl acetate 4.9
    decalin 0.26
    glycerin 158.9
    diglyme 40.63
    acrylic acid 55.82
    isopropyl myristate 1.7
    n-butyric acid 43.73
    acetyl acetate 12.55
    di(2-ethylhexyl) phthalate 5.25
    ethyl propionate 4.36
    nitromethane 182.23
    1,2-diethoxyethane 5.59
    benzonitrile 7.1
    trioctyl phosphate 3.64
    1-bromopropane 2.23
    gamma-valerolactone 85.34
    n-decanol 2.37
    triethyl phosphate 4.21
    4-methyl-2-pentanol 2.57
    propionitrile 4.85
    vinylene carbonate 22.49
    1,1,2-trichlorotrifluoroethane 109.95
    DMS 6.31
    cumene 1.0
    2-octanol 2.09
    2-hexanone 5.54
    octyl acetate 2.71
    limonene 1.38
    1,2-dimethoxyethane 36.66
    ethyl orthosilicate 3.76
    tributyl phosphate 4.04
    diacetone alcohol 19.13
    N,N-dimethylaniline 3.65
    acrylonitrile 10.76
    aniline 9.41
    1,3-propanediol 90.6
    bromobenzene 2.3
    dibromomethane 6.27
    1,1,2,2-tetrachloroethane 21.21
    2-methyl-cyclohexyl acetate 4.37
    tetrabutyl urea 5.94
    diisobutyl methanol 1.41
    2-phenylethanol 7.39
    styrene 1.32
    dioctyl adipate 4.63
    dimethyl sulfate 32.8
    ethyl butyrate 3.03
    methyl lactate 35.2
    butyl lactate 8.76
    diethyl carbonate 3.04
    propanediol butyl ether 21.97
    triethyl orthoformate 3.77
    p-tert-butyltoluene 0.99
    methyl 4-tert-butylbenzoate 10.45
    morpholine 33.28
    tert-butylamine 2.33
    n-dodecanol 1.78
    dimethoxymethane 34.61
    ethylene carbonate 17.97
    cyrene 33.67
    2-ethoxyethyl acetate 7.51
    2-ethylhexyl acetate 2.08
    1,2,4-trichlorobenzene 6.05
    4-methylpyridine 9.76
    dibutyl ether 1.44
    2,6-dimethyl-4-heptanol 1.41
    DEF 20.38
    dimethyl isosorbide 23.01
    tetrachloroethylene 17.33
    eugenol 14.33
    triacetin 10.72
    span 80 14.79
    1,4-butanediol 43.61
    1,1-dichloroethane 4.99
    2-methyl-1-pentanol 7.6
    methyl formate 55.88
    2-methyl-1-butanol 7.82
    n-decane 0.24
    butyronitrile 5.33
    3,7-dimethyl-1-octanol 2.52
    1-chlorooctane 0.96
    1-chlorotetradecane 0.48
    n-nonane 0.21
    undecane 0.18
    tert-butylcyclohexane 0.19
    cyclooctane 0.23
    cyclopentanol 17.91
    tetrahydropyran 8.08
    tert-amyl methyl ether 2.39
    2,5,8-trioxanonane 30.64
    1-hexene 0.63
    2-isopropoxyethanol 26.68
    2,2,2-trifluoroethanol 98.44
    methyl butyrate 7.35

    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