Coumaramido ferulamidobutane

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  • Identifiers

    CAS number
    380302-96-5

    Molecular formula
    C23H26N2O5

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

    Safety labels

  • Odor profile

    Fragrance
    Meaty 52.48%
    Savory 51.33%
    Odorless 43.96%
    Roasted 28.99%
    Cooked 28.48%
    Spicy 26.69%
    Burnt 24.09%
    Cooling 23.94%
    Pungent 20.92%
    Milky 18.01%

     

    Flavor
    Bitter 66.1%
    Odorless 45.21%
    Bland 25.6%
    Mild 25.5%
    Nitrile 20.64%
    Sweet-like 20.59%
    Orange flower 19.57%
    Lovage 19.21%
    Cedarleaf 19.0%
    Ethyl benzoate 18.96%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    10.51 (weak base)

    Molecular weight
    410.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1086°C

    Flash point

    • 285.19 ˚C est.

  • Synonyms

    • Coumaramido ferulamidobutane
    • Sid corn cfp
    • UNII-741ZU2IJ4C
    • N,-p-Coumaroyl-N'-feruloylputrescine
    • 741ZU2IJ4C
    • Coumaramido ferulamidobutane [INCI]
    • 380302-96-5
    • 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(4-((3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl)amino)butyl)-
    • 2-Propenamide, 3-(4-hydroxy-3-methoxyphenyl)-N-(4-((3-(4-hydroxyphenyl)-1-oxo-2-propenyl)amino)butyl)-
    • DTXSID70191454
    • RefChem:128238
    • DTXCID80113945
    • n-p-coumaroyl-n'-feruloylputrescine
    • Q27266221
    • (2E)-3-(4-Hydroxy-3-methoxyphenyl)-N-{4-[(2E)-3-(4-hydroxyphenyl)prop-2-enamido]butyl}prop-2-enamide
    • 380302-96-5

  • Applications

    Coumaramido ferulamidobutane (CAS 380302-96-5) is viewed primarily as an intermediate and building block in organic synthesis, usable as a specialty precursor in chemical development. In the fragrance and cosmetics industries, it can be evaluated as an odorant or fragrance fixative, contributing to perfume matrices. In pharmaceutical and agrochemical research, it may serve as a synthetic intermediate for more complex molecules or as a starting point for exploratory compound libraries. In coatings and inks, it can be employed as a specialty additive or derivative to tune formulation properties. In polymers and plastics, it can function as an intermediate for polymer synthesis or as a reactive building block in formulated materials. Practical use will depend on regulatory compliance and formulation constraints in each application area.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.65
    methanol 25.42
    isopropanol 23.2
    water 0.09
    ethyl acetate 6.36
    n-propanol 24.92
    acetone 78.8
    n-butanol 13.75
    acetonitrile 6.33
    DMF 70.87
    toluene 2.8
    isobutanol 10.17
    1,4-dioxane 41.28
    methyl acetate 11.89
    THF 321.38
    2-butanone 41.12
    n-pentanol 11.88
    sec-butanol 18.73
    n-hexane 0.35
    ethylene glycol 5.94
    NMP 37.03
    cyclohexane 0.53
    DMSO 580.79
    n-butyl acetate 1.92
    n-octanol 3.86
    chloroform 10.43
    n-propyl acetate 3.29
    acetic acid 33.22
    dichloromethane 10.41
    cyclohexanone 42.94
    propylene glycol 17.31
    isopropyl acetate 3.51
    DMAc 149.22
    2-ethoxyethanol 36.04
    isopentanol 7.31
    n-heptane 0.34
    ethyl formate 7.5
    1,2-dichloroethane 10.29
    n-hexanol 4.21
    2-methoxyethanol 61.38
    isobutyl acetate 1.87
    tetrachloromethane 1.34
    n-pentyl acetate 3.36
    transcutol 37.1
    n-heptanol 3.77
    ethylbenzene 1.39
    MIBK 5.18
    2-propoxyethanol 18.26
    tert-butanol 16.32
    MTBE 6.51
    2-butoxyethanol 12.2
    propionic acid 15.04
    o-xylene 1.65
    formic acid 18.04
    diethyl ether 7.53
    m-xylene 1.07
    p-xylene 1.79
    chlorobenzene 2.2
    dimethyl carbonate 6.0
    n-octane 0.29
    formamide 33.64
    cyclopentanone 87.45
    2-pentanone 17.97
    anisole 4.6
    cyclopentyl methyl ether 12.94
    gamma-butyrolactone 46.79
    1-methoxy-2-propanol 37.01
    pyridine 23.84
    3-pentanone 12.73
    furfural 20.53
    n-dodecane 0.24
    diethylene glycol 14.64
    diisopropyl ether 0.95
    tert-amyl alcohol 13.25
    acetylacetone 17.51
    n-hexadecane 0.27
    acetophenone 5.82
    methyl propionate 9.72
    isopentyl acetate 2.0
    trichloroethylene 14.63
    n-nonanol 4.16
    cyclohexanol 12.98
    benzyl alcohol 8.72
    2-ethylhexanol 1.84
    isooctanol 2.77
    dipropyl ether 3.48
    1,2-dichlorobenzene 1.72
    ethyl lactate 4.7
    propylene carbonate 7.69
    n-methylformamide 27.1
    2-pentanol 6.42
    n-pentane 0.26
    1-propoxy-2-propanol 10.89
    1-methoxy-2-propyl acetate 4.78
    2-(2-methoxypropoxy) propanol 12.03
    mesitylene 0.51
    ε-caprolactone 18.74
    p-cymene 0.62
    epichlorohydrin 50.59
    1,1,1-trichloroethane 4.08
    2-aminoethanol 15.47
    morpholine-4-carbaldehyde 34.06
    sulfolane 79.1
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 38.95
    n-hexyl acetate 4.4
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 16.66
    sec-butyl acetate 2.2
    tert-butyl acetate 3.52
    decalin 0.23
    glycerin 20.92
    diglyme 27.48
    acrylic acid 13.62
    isopropyl myristate 2.17
    n-butyric acid 11.81
    acetyl acetate 3.43
    di(2-ethylhexyl) phthalate 2.73
    ethyl propionate 3.24
    nitromethane 44.45
    1,2-diethoxyethane 8.95
    benzonitrile 4.03
    trioctyl phosphate 2.1
    1-bromopropane 4.76
    gamma-valerolactone 70.54
    n-decanol 3.04
    triethyl phosphate 2.13
    4-methyl-2-pentanol 2.41
    propionitrile 6.18
    vinylene carbonate 6.48
    1,1,2-trichlorotrifluoroethane 31.15
    DMS 3.97
    cumene 0.83
    2-octanol 2.69
    2-hexanone 9.26
    octyl acetate 3.06
    limonene 0.98
    1,2-dimethoxyethane 37.8
    ethyl orthosilicate 2.16
    tributyl phosphate 2.53
    diacetone alcohol 11.65
    N,N-dimethylaniline 3.49
    acrylonitrile 7.89
    aniline 7.63
    1,3-propanediol 26.63
    bromobenzene 1.5
    dibromomethane 6.06
    1,1,2,2-tetrachloroethane 17.41
    2-methyl-cyclohexyl acetate 2.63
    tetrabutyl urea 5.05
    diisobutyl methanol 1.14
    2-phenylethanol 4.08
    styrene 1.59
    dioctyl adipate 3.91
    dimethyl sulfate 12.76
    ethyl butyrate 2.22
    methyl lactate 10.52
    butyl lactate 5.08
    diethyl carbonate 1.61
    propanediol butyl ether 12.52
    triethyl orthoformate 3.05
    p-tert-butyltoluene 0.57
    methyl 4-tert-butylbenzoate 6.05
    morpholine 69.26
    tert-butylamine 4.4
    n-dodecanol 2.26
    dimethoxymethane 43.59
    ethylene carbonate 5.97
    cyrene 13.95
    2-ethoxyethyl acetate 6.63
    2-ethylhexyl acetate 1.44
    1,2,4-trichlorobenzene 2.72
    4-methylpyridine 12.22
    dibutyl ether 4.45
    2,6-dimethyl-4-heptanol 1.14
    DEF 15.92
    dimethyl isosorbide 12.99
    tetrachloroethylene 9.07
    eugenol 6.76
    triacetin 6.03
    span 80 9.0
    1,4-butanediol 11.34
    1,1-dichloroethane 6.48
    2-methyl-1-pentanol 6.78
    methyl formate 18.74
    2-methyl-1-butanol 8.44
    n-decane 0.45
    butyronitrile 5.83
    3,7-dimethyl-1-octanol 2.6
    1-chlorooctane 1.55
    1-chlorotetradecane 0.69
    n-nonane 0.38
    undecane 0.32
    tert-butylcyclohexane 0.16
    cyclooctane 0.16
    cyclopentanol 27.6
    tetrahydropyran 42.83
    tert-amyl methyl ether 5.47
    2,5,8-trioxanonane 20.23
    1-hexene 1.74
    2-isopropoxyethanol 17.39
    2,2,2-trifluoroethanol 9.43
    methyl butyrate 4.99

    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