Bis-ferulamidobutane

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  • Identifiers

    CAS number
    91000-13-4

    Molecular formula
    C24H28N2O6

    SMILES
    COC1=C(C=CC(=C1)/C=C/C(=O)NCCCCNC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Savory 51.18%
    Meaty 50.27%
    Odorless 45.62%
    Roasted 27.8%
    Cooked 26.36%
    Spicy 25.68%
    Cooling 24.2%
    Burnt 23.07%
    Pungent 20.17%
    Milky 19.47%

     

    Flavor
    Bitter 63.93%
    Odorless 45.23%
    Bland 28.65%
    Mild 23.96%
    Sweet-like 20.89%
    Nitrile 19.79%
    Orange flower 19.3%
    Very mild 19.15%
    Lovage 19.12%
    Parsley 19.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    10.91 (weak base)

    Molecular weight
    440.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1146°C

    Flash point

    • 283.43 ˚C est.

  • Synonyms

    • Terrestribisamide
    • Bis-ferulamidobutane
    • Sid Corn DFP
    • (E,E)-Terrestribisamide
    • Terrestribisamide, (E,E)-
    • 91000-13-4
    • 576NVQ5724
    • 2-Propenamide, N,N'-1,4-butanediylbis(3-(4-hydroxy-3-methoxyphenyl)-, (E,E)-
    • 2-Propenamide, N,N'-1,4-butanediylbis(3-(4-hydroxy-3-methoxyphenyl)-, (2E,2'E)-
    • (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[4-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
    • DTXSID30238359
    • (E)-3-(4-hydroxy-3-methoxyphenyl)-N-(4-(((E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl)amino)butyl)prop-2-enamide
    • RefChem:1080003
    • DTXCID00160850
    • diferuloylputrescine
    • N,N'-Diferuloylputrescine
    • UNII-576NVQ5724
    • 42369-86-8
    • trans-N,N'-Diferuloylputrescine
    • N,N inverted exclamation marka-Diferuloylputrescine
    • Diferuloyl putrescine
    • n,n'-diferuloyl-putrescine
    • Compound NP-016222
    • 2-Propenamide, N,N'-1,4-butanediylbis[3-(4-hydroxy-3-methoxyphenyl)-
    • CHEMBL1088758
    • SCHEMBL30382198
    • SCHEMBL31278144
    • CHEBI:173179
    • CHEMZHJQHCVLFI-MKICQXMISA-N
    • HY-N12267A
    • BDBM50520916
    • HY-N12267
    • AKOS040738661
    • (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-{4-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamido]butyl}prop-2-enamide
    • DA-62865
    • CS-0897029
    • CS-1054025
    • Q27261475
    • (2E,2'E)-N,N'-(Butane-1,4-diyl)bis[3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide]
    • (2E)-3-(4-Hydroxy-3-methoxyphenyl)-N-(4-([(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]amino)butyl)-2-propenamide #
    • 91000-13-4

  • Applications

    Bis-ferulamidobutane, CAS 91000-13-4, is viewed as a building block in plastic and polymer manufacturing; it may act as a crosslinking or functionalizing agent in epoxy or polyurethane systems. In industrial applications, it can be used as an additive for coatings and inks to improve mechanical properties and thermal stability; it can also serve as a starting material for specialty chemicals in industrial manufacturing and adhesives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.22
    methanol 6.21
    isopropanol 10.35
    water 0.04
    ethyl acetate 4.34
    n-propanol 11.11
    acetone 34.67
    n-butanol 6.03
    acetonitrile 4.23
    DMF 37.0
    toluene 2.52
    isobutanol 4.91
    1,4-dioxane 26.63
    methyl acetate 8.06
    THF 185.56
    2-butanone 24.55
    n-pentanol 5.6
    sec-butanol 9.9
    n-hexane 0.5
    ethylene glycol 2.37
    NMP 33.97
    cyclohexane 0.87
    DMSO 320.78
    n-butyl acetate 1.54
    n-octanol 2.57
    chloroform 10.24
    n-propyl acetate 2.51
    acetic acid 15.54
    dichloromethane 9.97
    cyclohexanone 31.2
    propylene glycol 5.61
    isopropyl acetate 2.44
    DMAc 80.43
    2-ethoxyethanol 15.38
    isopentanol 3.39
    n-heptane 0.39
    ethyl formate 4.51
    1,2-dichloroethane 8.37
    n-hexanol 2.35
    2-methoxyethanol 21.34
    isobutyl acetate 1.2
    tetrachloromethane 1.61
    n-pentyl acetate 2.78
    transcutol 14.5
    n-heptanol 2.4
    ethylbenzene 1.13
    MIBK 2.92
    2-propoxyethanol 8.8
    tert-butanol 8.05
    MTBE 4.99
    2-butoxyethanol 6.84
    propionic acid 8.32
    o-xylene 1.43
    formic acid 6.95
    diethyl ether 6.2
    m-xylene 0.84
    p-xylene 1.53
    chlorobenzene 1.77
    dimethyl carbonate 3.89
    n-octane 0.34
    formamide 13.58
    cyclopentanone 65.34
    2-pentanone 10.64
    anisole 2.51
    cyclopentyl methyl ether 10.24
    gamma-butyrolactone 35.6
    1-methoxy-2-propanol 13.52
    pyridine 15.94
    3-pentanone 9.41
    furfural 13.14
    n-dodecane 0.22
    diethylene glycol 5.72
    diisopropyl ether 0.82
    tert-amyl alcohol 7.7
    acetylacetone 9.94
    n-hexadecane 0.25
    acetophenone 3.49
    methyl propionate 6.99
    isopentyl acetate 1.4
    trichloroethylene 11.87
    n-nonanol 2.74
    cyclohexanol 8.19
    benzyl alcohol 4.25
    2-ethylhexanol 1.19
    isooctanol 1.71
    dipropyl ether 2.69
    1,2-dichlorobenzene 1.36
    ethyl lactate 2.49
    propylene carbonate 5.55
    n-methylformamide 13.25
    2-pentanol 3.69
    n-pentane 0.44
    1-propoxy-2-propanol 6.06
    1-methoxy-2-propyl acetate 2.79
    2-(2-methoxypropoxy) propanol 5.97
    mesitylene 0.4
    ε-caprolactone 14.69
    p-cymene 0.46
    epichlorohydrin 32.75
    1,1,1-trichloroethane 3.94
    2-aminoethanol 5.38
    morpholine-4-carbaldehyde 20.94
    sulfolane 65.05
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 28.9
    n-hexyl acetate 3.23
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 7.8
    sec-butyl acetate 1.55
    tert-butyl acetate 2.3
    decalin 0.24
    glycerin 6.81
    diglyme 14.18
    acrylic acid 7.8
    isopropyl myristate 1.41
    n-butyric acid 6.38
    acetyl acetate 2.18
    di(2-ethylhexyl) phthalate 1.51
    ethyl propionate 2.56
    nitromethane 23.15
    1,2-diethoxyethane 5.87
    benzonitrile 2.49
    trioctyl phosphate 1.33
    1-bromopropane 4.74
    gamma-valerolactone 45.17
    n-decanol 1.93
    triethyl phosphate 1.47
    4-methyl-2-pentanol 1.32
    propionitrile 4.32
    vinylene carbonate 4.6
    1,1,2-trichlorotrifluoroethane 19.19
    DMS 2.6
    cumene 0.63
    2-octanol 1.92
    2-hexanone 5.8
    octyl acetate 2.07
    limonene 0.82
    1,2-dimethoxyethane 19.88
    ethyl orthosilicate 1.47
    tributyl phosphate 1.59
    diacetone alcohol 5.97
    N,N-dimethylaniline 2.08
    acrylonitrile 5.44
    aniline 4.64
    1,3-propanediol 9.01
    bromobenzene 1.4
    dibromomethane 6.66
    1,1,2,2-tetrachloroethane 13.16
    2-methyl-cyclohexyl acetate 1.73
    tetrabutyl urea 3.21
    diisobutyl methanol 0.73
    2-phenylethanol 2.17
    styrene 1.24
    dioctyl adipate 2.43
    dimethyl sulfate 8.68
    ethyl butyrate 1.65
    methyl lactate 5.12
    butyl lactate 3.04
    diethyl carbonate 1.14
    propanediol butyl ether 5.92
    triethyl orthoformate 2.06
    p-tert-butyltoluene 0.42
    methyl 4-tert-butylbenzoate 3.52
    morpholine 38.83
    tert-butylamine 2.94
    n-dodecanol 1.39
    dimethoxymethane 19.77
    ethylene carbonate 4.34
    cyrene 7.58
    2-ethoxyethyl acetate 4.74
    2-ethylhexyl acetate 1.1
    1,2,4-trichlorobenzene 2.11
    4-methylpyridine 8.17
    dibutyl ether 3.19
    2,6-dimethyl-4-heptanol 0.73
    DEF 11.02
    dimethyl isosorbide 7.12
    tetrachloroethylene 7.73
    eugenol 3.55
    triacetin 3.58
    span 80 4.52
    1,4-butanediol 4.56
    1,1-dichloroethane 5.66
    2-methyl-1-pentanol 3.37
    methyl formate 9.52
    2-methyl-1-butanol 4.19
    n-decane 0.46
    butyronitrile 3.47
    3,7-dimethyl-1-octanol 1.5
    1-chlorooctane 1.35
    1-chlorotetradecane 0.56
    n-nonane 0.43
    undecane 0.3
    tert-butylcyclohexane 0.15
    cyclooctane 0.23
    cyclopentanol 17.01
    tetrahydropyran 29.86
    tert-amyl methyl ether 4.34
    2,5,8-trioxanonane 10.06
    1-hexene 1.75
    2-isopropoxyethanol 8.28
    2,2,2-trifluoroethanol 6.29
    methyl butyrate 3.72

    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