Frangulanine

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  • Identifiers

    CAS number
    25350-22-5

    Molecular formula
    C28H44N4O4

    SMILES
    CC[C@H](C)[C@@H](C(=O)N[C@H]1[C@H](OC2=CC=C(C=C2)C=CNC(=O)[C@@H](NC1=O)CC(C)C)C(C)C)N(C)C

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  • Odor profile

    Fragrance
    Odorless 53.46%
    Cooling 42.09%
    Mint 34.69%
    Savory 25.6%
    Roasted 22.02%
    Meaty 18.5%
    Bitter 17.12%
    Spicy 16.72%
    Animal 16.48%
    Herbal 15.71%

     

    Flavor
    Bitter 69.67%
    Odorless 21.42%
    Herbal 21.32%
    Cedarleaf 21.13%
    Bland 20.88%
    Nitrile 18.96%
    Lovage 18.89%
    Green pepper 18.82%
    Carrot 18.44%
    Parsley 18.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    14.59 (strong base)

    Molecular weight
    500.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    980°C

    Flash point

    • 247.18 ˚C est.

  • Synonyms

    • Frangulanine
    • DTXSID901317960
    • RefChem:921858
    • DTXCID101747753
    • 25350-22-5
    • N~2~,N~2~-Dimethyl-N-[(3R,4S,7S)-7-(2-methylpropyl)-5,8-dioxo-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-L-isoleucinamide
    • 25350-22-5

  • Applications

    Frangulanine (CAS 25350-22-5) is primarily used as a fragrance ingredient, contributing aroma notes in perfumery and in cosmetic and personal care formulations. It may also serve as an odorant in household products, imparting a distinct scent profile. In industrial contexts, it is sometimes included as a fragrance additive in coatings and inks and can appear in cleaning formulations as a scent component. Depending on the formulation and local regulations, it may be evaluated as an aroma intermediate or processing aid, with usage limited by regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 118.34
    methanol 136.15
    isopropanol 69.98
    water 3.18
    ethyl acetate 119.61
    n-propanol 114.97
    acetone 124.44
    n-butanol 90.78
    acetonitrile 54.73
    DMF 187.62
    toluene 36.99
    isobutanol 82.57
    1,4-dioxane 95.27
    methyl acetate 128.19
    THF 149.67
    2-butanone 129.68
    n-pentanol 82.38
    sec-butanol 94.76
    n-hexane 5.01
    ethylene glycol 53.13
    NMP 419.15
    cyclohexane 4.56
    DMSO 192.34
    n-butyl acetate 80.23
    n-octanol 28.63
    chloroform 209.33
    n-propyl acetate 67.22
    acetic acid 641.68
    dichloromethane 174.08
    cyclohexanone 181.59
    propylene glycol 88.07
    isopropyl acetate 71.97
    DMAc 388.74
    2-ethoxyethanol 155.62
    isopentanol 67.86
    n-heptane 2.91
    ethyl formate 106.31
    1,2-dichloroethane 115.32
    n-hexanol 66.67
    2-methoxyethanol 205.67
    isobutyl acetate 45.1
    tetrachloromethane 45.39
    n-pentyl acetate 80.77
    transcutol 293.98
    n-heptanol 44.98
    ethylbenzene 18.31
    MIBK 57.37
    2-propoxyethanol 158.05
    tert-butanol 58.39
    MTBE 45.74
    2-butoxyethanol 133.41
    propionic acid 224.12
    o-xylene 30.19
    formic acid 298.04
    diethyl ether 49.11
    m-xylene 26.39
    p-xylene 24.53
    chlorobenzene 63.73
    dimethyl carbonate 90.96
    n-octane 1.59
    formamide 241.7
    cyclopentanone 187.46
    2-pentanone 97.52
    anisole 33.81
    cyclopentyl methyl ether 78.86
    gamma-butyrolactone 276.96
    1-methoxy-2-propanol 146.53
    pyridine 108.89
    3-pentanone 91.4
    furfural 226.32
    n-dodecane 1.1
    diethylene glycol 131.95
    diisopropyl ether 14.95
    tert-amyl alcohol 89.35
    acetylacetone 118.72
    n-hexadecane 1.22
    acetophenone 66.14
    methyl propionate 123.07
    isopentyl acetate 70.08
    trichloroethylene 253.43
    n-nonanol 28.69
    cyclohexanol 88.72
    benzyl alcohol 67.65
    2-ethylhexanol 35.19
    isooctanol 34.07
    dipropyl ether 24.53
    1,2-dichlorobenzene 64.43
    ethyl lactate 66.02
    propylene carbonate 178.15
    n-methylformamide 163.21
    2-pentanol 60.89
    n-pentane 5.18
    1-propoxy-2-propanol 99.28
    1-methoxy-2-propyl acetate 99.5
    2-(2-methoxypropoxy) propanol 85.31
    mesitylene 13.74
    ε-caprolactone 232.48
    p-cymene 14.75
    epichlorohydrin 230.61
    1,1,1-trichloroethane 109.72
    2-aminoethanol 106.6
    morpholine-4-carbaldehyde 284.57
    sulfolane 329.29
    2,2,4-trimethylpentane 4.18
    2-methyltetrahydrofuran 122.33
    n-hexyl acetate 77.09
    isooctane 1.82
    2-(2-butoxyethoxy)ethanol 120.15
    sec-butyl acetate 49.04
    tert-butyl acetate 57.31
    decalin 3.77
    glycerin 140.01
    diglyme 164.11
    acrylic acid 243.41
    isopropyl myristate 18.95
    n-butyric acid 225.04
    acetyl acetate 109.83
    di(2-ethylhexyl) phthalate 45.05
    ethyl propionate 58.08
    nitromethane 386.72
    1,2-diethoxyethane 68.19
    benzonitrile 54.15
    trioctyl phosphate 31.25
    1-bromopropane 59.35
    gamma-valerolactone 324.12
    n-decanol 18.93
    triethyl phosphate 36.0
    4-methyl-2-pentanol 31.03
    propionitrile 49.25
    vinylene carbonate 176.88
    1,1,2-trichlorotrifluoroethane 332.49
    DMS 95.01
    cumene 14.77
    2-octanol 25.3
    2-hexanone 69.72
    octyl acetate 36.16
    limonene 21.63
    1,2-dimethoxyethane 99.31
    ethyl orthosilicate 33.12
    tributyl phosphate 36.19
    diacetone alcohol 98.21
    N,N-dimethylaniline 32.28
    acrylonitrile 65.1
    aniline 71.81
    1,3-propanediol 136.23
    bromobenzene 53.51
    dibromomethane 114.35
    1,1,2,2-tetrachloroethane 206.02
    2-methyl-cyclohexyl acetate 51.34
    tetrabutyl urea 42.4
    diisobutyl methanol 14.73
    2-phenylethanol 62.96
    styrene 20.41
    dioctyl adipate 41.06
    dimethyl sulfate 167.61
    ethyl butyrate 48.35
    methyl lactate 129.24
    butyl lactate 92.67
    diethyl carbonate 37.62
    propanediol butyl ether 113.31
    triethyl orthoformate 40.0
    p-tert-butyltoluene 13.18
    methyl 4-tert-butylbenzoate 73.85
    morpholine 145.78
    tert-butylamine 26.54
    n-dodecanol 12.27
    dimethoxymethane 111.21
    ethylene carbonate 144.96
    cyrene 120.24
    2-ethoxyethyl acetate 133.54
    2-ethylhexyl acetate 57.57
    1,2,4-trichlorobenzene 89.43
    4-methylpyridine 105.7
    dibutyl ether 18.3
    2,6-dimethyl-4-heptanol 14.73
    DEF 136.78
    dimethyl isosorbide 113.12
    tetrachloroethylene 149.62
    eugenol 75.53
    triacetin 96.39
    span 80 81.2
    1,4-butanediol 79.96
    1,1-dichloroethane 110.68
    2-methyl-1-pentanol 73.16
    methyl formate 142.35
    2-methyl-1-butanol 91.26
    n-decane 2.04
    butyronitrile 47.62
    3,7-dimethyl-1-octanol 25.43
    1-chlorooctane 12.62
    1-chlorotetradecane 4.37
    n-nonane 1.77
    undecane 1.43
    tert-butylcyclohexane 3.15
    cyclooctane 2.08
    cyclopentanol 103.16
    tetrahydropyran 84.17
    tert-amyl methyl ether 53.48
    2,5,8-trioxanonane 101.48
    1-hexene 18.92
    2-isopropoxyethanol 103.95
    2,2,2-trifluoroethanol 279.45
    methyl butyrate 78.91

    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