Rubemamine

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  • Identifiers

    CAS number
    121817-65-0

    Molecular formula
    C21H25NO5

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

  • Odor profile

    Fragrance
    Savory 45.11%
    Meaty 44.61%
    Odorless 31.95%
    Spicy 31.3%
    Roasted 31.26%
    Cooked 24.97%
    Cooling 24.77%
    Burnt 23.32%
    Milky 22.85%
    Warm 20.26%

     

    Flavor
    Bitter 53.66%
    Odorless 30.44%
    Bland 27.68%
    Fruity 20.81%
    Parsley 20.54%
    Mild 19.92%
    Ethyl benzoate 19.7%
    Lovage 19.2%
    Heather 19.16%
    Sweet-like 19.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.65 (neutral)

    Molecular weight
    371.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    709°C

    Flash point

    • 196.64 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in non-polar solvents
    • Insoluble (in ethanol)

  • Synonyms

    • Rubemamine
    • trans-Rubemamine
    • FEMA No. 4310
    • 121817-65-0
    • ACW0M536VD
    • N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-3,4-DIMETHOXYCINNAMIC ACID AMIDE
    • (E)-3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
    • DTXSID90153372
    • N-[2-(3,4-Dimethoxyphenyl)ethyl]-3,4-dimethoxycinnamic acid amide
    • (2E)-3-(3,4-Dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)acrylamide
    • (2E)-3-(3,4-Dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)prop-2-enamide
    • (2E)-3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
    • 2-Propenamide, 3-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-, (2E)-
    • 2-Propenamide, 3-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-, (E)-
    • 2-Propenamide, 3-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-rubenamin
    • 69444-90-2
    • N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-3,4-DIMETHOXYCINNAMIDE
    • 2-Propenamide, 3-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-
    • 3-(3,4-DIMETHOXY-PHENYL)-N-(2-(3,4-DIMETHOXYPHENYL)-ETHYL)-ACRYLAMIDE
    • N-(2-(3,4-DIMETHOXYPHENYL)ETHYL)-3,4-DIMETHOXYCINNAMIC ACID AMIDE [FHFI]
    • UNII-ACW0M536VD
    • Rubenamin
    • (E)-3-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)prop-2-enamide
    • 2-PROPENAMIDE, 3-(3,4-DIMETHOXYPHENYL)-N-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-RUBENAMIN
    • 3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acrylamide
    • CHEMBL251400
    • SCHEMBL1917292
    • SCHEMBL4812487
    • DTXCID0075863
    • CHEBI:186757
    • STK742695
    • AKOS001607908
    • AB00090774-01
    • AG-205/37023077
    • SR-01000408644
    • SR-01000408644-1
    • Q27273879

  • Applications

    Rubemamine (CAS 121817-65-0) is primarily used as an organic synthesis intermediate, notably in the production of fragrance compounds and related aroma materials; it may be evaluated as an odor-active component in cosmetic and personal care formulations, and it also serves as a building block in polymer and plastics chemistry; in coatings and inks, rubemamine can function as a precursor or processing aid; additional industrial applications may be considered depending on formulation and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.73
    methanol 7.27
    isopropanol 6.85
    water 0.11
    ethyl acetate 22.08
    n-propanol 9.04
    acetone 37.07
    n-butanol 6.46
    acetonitrile 19.82
    DMF 39.66
    toluene 6.45
    isobutanol 6.0
    1,4-dioxane 44.53
    methyl acetate 24.94
    THF 93.28
    2-butanone 27.2
    n-pentanol 8.5
    sec-butanol 8.49
    n-hexane 1.45
    ethylene glycol 4.53
    NMP 40.04
    cyclohexane 3.68
    DMSO 143.98
    n-butyl acetate 8.52
    n-octanol 4.72
    chloroform 74.73
    n-propyl acetate 13.2
    acetic acid 28.41
    dichloromethane 90.49
    cyclohexanone 41.53
    propylene glycol 4.2
    isopropyl acetate 11.47
    DMAc 70.8
    2-ethoxyethanol 27.95
    isopentanol 5.36
    n-heptane 1.71
    ethyl formate 14.21
    1,2-dichloroethane 50.52
    n-hexanol 5.91
    2-methoxyethanol 27.11
    isobutyl acetate 7.29
    tetrachloromethane 11.29
    n-pentyl acetate 9.31
    transcutol 25.31
    n-heptanol 5.06
    ethylbenzene 4.7
    MIBK 9.73
    2-propoxyethanol 20.12
    tert-butanol 8.96
    MTBE 8.82
    2-butoxyethanol 13.34
    propionic acid 15.6
    o-xylene 5.42
    formic acid 14.59
    diethyl ether 15.73
    m-xylene 3.67
    p-xylene 5.72
    chlorobenzene 10.84
    dimethyl carbonate 18.35
    n-octane 1.18
    formamide 28.14
    cyclopentanone 58.67
    2-pentanone 17.62
    anisole 10.15
    cyclopentyl methyl ether 18.71
    gamma-butyrolactone 63.27
    1-methoxy-2-propanol 16.81
    pyridine 30.15
    3-pentanone 21.25
    furfural 38.2
    n-dodecane 0.86
    diethylene glycol 17.97
    diisopropyl ether 3.7
    tert-amyl alcohol 8.55
    acetylacetone 29.25
    n-hexadecane 0.99
    acetophenone 15.08
    methyl propionate 23.39
    isopentyl acetate 8.36
    trichloroethylene 74.25
    n-nonanol 5.47
    cyclohexanol 10.43
    benzyl alcohol 10.8
    2-ethylhexanol 4.93
    isooctanol 4.69
    dipropyl ether 9.28
    1,2-dichlorobenzene 12.73
    ethyl lactate 9.21
    propylene carbonate 20.99
    n-methylformamide 20.09
    2-pentanol 5.07
    n-pentane 1.31
    1-propoxy-2-propanol 12.17
    1-methoxy-2-propyl acetate 13.93
    2-(2-methoxypropoxy) propanol 13.25
    mesitylene 2.54
    ε-caprolactone 29.99
    p-cymene 3.5
    epichlorohydrin 70.7
    1,1,1-trichloroethane 28.81
    2-aminoethanol 7.11
    morpholine-4-carbaldehyde 36.58
    sulfolane 81.62
    2,2,4-trimethylpentane 0.79
    2-methyltetrahydrofuran 31.04
    n-hexyl acetate 9.53
    isooctane 0.38
    2-(2-butoxyethoxy)ethanol 15.11
    sec-butyl acetate 7.86
    tert-butyl acetate 11.28
    decalin 1.43
    glycerin 9.09
    diglyme 34.06
    acrylic acid 17.69
    isopropyl myristate 4.74
    n-butyric acid 13.92
    acetyl acetate 18.08
    di(2-ethylhexyl) phthalate 5.84
    ethyl propionate 13.85
    nitromethane 63.02
    1,2-diethoxyethane 14.9
    benzonitrile 10.71
    trioctyl phosphate 4.4
    1-bromopropane 16.46
    gamma-valerolactone 54.46
    n-decanol 4.31
    triethyl phosphate 9.38
    4-methyl-2-pentanol 2.91
    propionitrile 15.31
    vinylene carbonate 21.59
    1,1,2-trichlorotrifluoroethane 47.28
    DMS 15.02
    cumene 3.4
    2-octanol 3.78
    2-hexanone 13.88
    octyl acetate 6.26
    limonene 4.78
    1,2-dimethoxyethane 42.54
    ethyl orthosilicate 8.71
    tributyl phosphate 5.44
    diacetone alcohol 13.81
    N,N-dimethylaniline 8.26
    acrylonitrile 20.55
    aniline 9.07
    1,3-propanediol 9.95
    bromobenzene 10.89
    dibromomethane 51.29
    1,1,2,2-tetrachloroethane 59.65
    2-methyl-cyclohexyl acetate 10.08
    tetrabutyl urea 8.27
    diisobutyl methanol 3.4
    2-phenylethanol 9.18
    styrene 5.17
    dioctyl adipate 8.75
    dimethyl sulfate 34.93
    ethyl butyrate 10.72
    methyl lactate 12.84
    butyl lactate 7.75
    diethyl carbonate 9.15
    propanediol butyl ether 8.28
    triethyl orthoformate 10.01
    p-tert-butyltoluene 3.07
    methyl 4-tert-butylbenzoate 13.91
    morpholine 41.85
    tert-butylamine 4.65
    n-dodecanol 3.38
    dimethoxymethane 37.81
    ethylene carbonate 18.95
    cyrene 21.45
    2-ethoxyethyl acetate 16.49
    2-ethylhexyl acetate 6.92
    1,2,4-trichlorobenzene 15.76
    4-methylpyridine 15.99
    dibutyl ether 7.18
    2,6-dimethyl-4-heptanol 3.4
    DEF 23.29
    dimethyl isosorbide 24.72
    tetrachloroethylene 43.57
    eugenol 12.96
    triacetin 16.1
    span 80 9.65
    1,4-butanediol 7.21
    1,1-dichloroethane 26.23
    2-methyl-1-pentanol 7.26
    methyl formate 20.39
    2-methyl-1-butanol 6.13
    n-decane 1.55
    butyronitrile 10.69
    3,7-dimethyl-1-octanol 4.32
    1-chlorooctane 4.54
    1-chlorotetradecane 2.06
    n-nonane 1.38
    undecane 1.11
    tert-butylcyclohexane 0.95
    cyclooctane 1.34
    cyclopentanol 14.48
    tetrahydropyran 31.26
    tert-amyl methyl ether 9.03
    2,5,8-trioxanonane 24.68
    1-hexene 3.89
    2-isopropoxyethanol 17.7
    2,2,2-trifluoroethanol 20.8
    methyl butyrate 16.12

    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