Gamma-Fagarine

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  • Identifiers

    CAS number
    524-15-2

    Molecular formula
    C13H11NO3

    SMILES
    COC1=CC=CC2=C1N=C3C(=C2OC)C=CO3

    Safety labels

  • Odor profile

    Fragrance
    Sweet 49.83%
    Earthy 43.46%
    Floral 41.01%
    Phenolic 37.87%
    Vanilla 36.18%
    Powdery 32.88%
    Spicy 32.59%
    Aromatic 30.45%
    Fruity 30.27%
    Smoky 30.19%

     

    Flavor
    Bitter 89.32%
    Parsley 21.07%
    Eugenol 20.16%
    Very strong 20.02%
    Cedarleaf 19.88%
    Indole 19.79%
    Carrot 19.59%
    Cereal 19.51%
    Sweet-like 19.02%
    Ripe apricot 18.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    5.18 (weak acid)

    Molecular weight
    229.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    380°C

    Melting point expt.

    • 142 °C

    Flash point

    • 196.62 ˚C est.

  • Synonyms

    • gamma-Fagarine
    • 524-15-2
    • Fagarine
    • 4,8-dimethoxyfuro[2,3-b]quinoline
    • GKS8Q870TY
    • DTXSID20200409
    • 4,8-DIMETHOXYFURO(2,3-B)QUINOLINE
    • RefChem:142301
    • DTXCID70122900
    • 8-Methoxydictamine
    • 8-Methoxydictamnine
    • .gamma.-Fagarine
    • Furo(2,3-b)quinoline, 4,8-dimethoxy-
    • MLS000532362
    • SMR000137321
    • ST077119
    • g-fagarine
    • 4,8-Dimethoxyfuro[2,3-b]quinoline; 8-Methoxydictamnine; Fagarine
    • 4,8-Dimethoxy-Furo(2,3-b)quinoline
    • 4,8-Dimethoxy-Furo[2,3-b]quinoline
    • Furo[2,3-b]quinoline, 4,8-dimethoxy-
    • CCRIS 1584
    • UNII-GKS8Q870TY
    • BRN 0212820
    • gamma-fargarine
    • Haplopine;
    • -Fagarine
    • _-Fagarine
    • Opera_ID_990
    • FAGARINE [MI]
    • FAGARINE, GAMMA-
    • Cambridge id 5255764
    • Oprea1_404574
    • Oprea1_872079
    • CBDivE_012859
    • 4-27-00-02211 (Beilstein Handbook Reference)
    • MLS001048993
    • SCHEMBL679918
    • CHEMBL252925
    • orb1984300
    • SCHEMBL29594141
    • CHEBI:10562
    • WLZ4728
    • KFBCTNNQFGONHB-UHFFFAOYSA-N
    • HMS2495P10
    • HMS3561D11
    • HY-N3918
    • MFCD00582421
    • 4,8-dimethoxyfurano[2,3-b]quinoline
    • AKOS000620722
    • 4,8-dimeth-oxy-furo[2,3-b]quinoline
    • FS-9968
    • NCGC00245737-01
    • DA-53481
    • CS-0024453
    • NS00094652
    • D85115
    • AG-690/34553028
    • SR-01000201268
    • SR-01000201268-1
    • Q27108657
    • gamma-Fagarine (Aegelenine, Haplophine, 8-Methoxydictamnine)
    • 524-15-2

  • Applications

    Gamma-Fagarine (CAS 524-15-2) is typically used as an odorant and fragrance intermediate in perfumery, and as a fragrance ingredient in cosmetics and personal care formulations. It may also find application in household products as a fragrance additive. In industrial manufacturing, it can serve as a chemical intermediate in the synthesis of other aroma-related compounds and specialty chemicals. Additionally, it may be employed in coatings and inks to impart characteristic scents, subject to formulation limits and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.84
    methanol 11.79
    isopropanol 8.09
    water 0.2
    ethyl acetate 34.62
    n-propanol 10.51
    acetone 36.82
    n-butanol 11.24
    acetonitrile 19.46
    DMF 70.36
    toluene 23.28
    isobutanol 9.9
    1,4-dioxane 59.2
    methyl acetate 39.41
    THF 92.9
    2-butanone 28.55
    n-pentanol 11.07
    sec-butanol 7.62
    n-hexane 1.15
    ethylene glycol 10.7
    NMP 84.2
    cyclohexane 3.65
    DMSO 49.12
    n-butyl acetate 25.09
    n-octanol 9.8
    chloroform 97.25
    n-propyl acetate 29.75
    acetic acid 40.69
    dichloromethane 127.5
    cyclohexanone 59.43
    propylene glycol 4.35
    isopropyl acetate 24.26
    DMAc 80.65
    2-ethoxyethanol 32.94
    isopentanol 13.9
    n-heptane 2.27
    ethyl formate 30.26
    1,2-dichloroethane 80.4
    n-hexanol 15.03
    2-methoxyethanol 47.37
    isobutyl acetate 26.0
    tetrachloromethane 17.04
    n-pentyl acetate 22.95
    transcutol 43.99
    n-heptanol 12.61
    ethylbenzene 15.16
    MIBK 21.95
    2-propoxyethanol 40.66
    tert-butanol 12.98
    MTBE 14.03
    2-butoxyethanol 29.48
    propionic acid 21.11
    o-xylene 19.05
    formic acid 21.0
    diethyl ether 17.31
    m-xylene 18.13
    p-xylene 22.81
    chlorobenzene 40.35
    dimethyl carbonate 37.46
    n-octane 1.5
    formamide 37.04
    cyclopentanone 76.29
    2-pentanone 24.79
    anisole 30.52
    cyclopentyl methyl ether 38.44
    gamma-butyrolactone 99.77
    1-methoxy-2-propanol 24.78
    pyridine 70.23
    3-pentanone 25.21
    furfural 109.6
    n-dodecane 1.67
    diethylene glycol 45.28
    diisopropyl ether 6.96
    tert-amyl alcohol 11.74
    acetylacetone 45.34
    n-hexadecane 1.95
    acetophenone 39.85
    methyl propionate 34.36
    isopentyl acetate 29.54
    trichloroethylene 149.05
    n-nonanol 10.69
    cyclohexanol 19.03
    benzyl alcohol 32.54
    2-ethylhexanol 13.9
    isooctanol 12.25
    dipropyl ether 13.6
    1,2-dichlorobenzene 43.74
    ethyl lactate 18.82
    propylene carbonate 57.18
    n-methylformamide 32.25
    2-pentanol 7.9
    n-pentane 1.28
    1-propoxy-2-propanol 21.65
    1-methoxy-2-propyl acetate 32.93
    2-(2-methoxypropoxy) propanol 25.36
    mesitylene 11.83
    ε-caprolactone 54.31
    p-cymene 13.64
    epichlorohydrin 117.71
    1,1,1-trichloroethane 54.51
    2-aminoethanol 10.83
    morpholine-4-carbaldehyde 84.61
    sulfolane 94.54
    2,2,4-trimethylpentane 1.82
    2-methyltetrahydrofuran 50.34
    n-hexyl acetate 23.4
    isooctane 1.1
    2-(2-butoxyethoxy)ethanol 28.45
    sec-butyl acetate 22.65
    tert-butyl acetate 25.1
    decalin 3.55
    glycerin 15.84
    diglyme 61.85
    acrylic acid 29.48
    isopropyl myristate 12.21
    n-butyric acid 28.85
    acetyl acetate 34.26
    di(2-ethylhexyl) phthalate 17.48
    ethyl propionate 27.41
    nitromethane 70.91
    1,2-diethoxyethane 22.18
    benzonitrile 38.58
    trioctyl phosphate 12.0
    1-bromopropane 23.93
    gamma-valerolactone 98.35
    n-decanol 8.8
    triethyl phosphate 20.86
    4-methyl-2-pentanol 8.33
    propionitrile 20.49
    vinylene carbonate 69.03
    1,1,2-trichlorotrifluoroethane 84.75
    DMS 33.96
    cumene 13.14
    2-octanol 8.25
    2-hexanone 25.03
    octyl acetate 15.27
    limonene 15.83
    1,2-dimethoxyethane 59.06
    ethyl orthosilicate 19.79
    tributyl phosphate 13.82
    diacetone alcohol 28.03
    N,N-dimethylaniline 26.11
    acrylonitrile 32.68
    aniline 31.66
    1,3-propanediol 19.38
    bromobenzene 43.21
    dibromomethane 63.38
    1,1,2,2-tetrachloroethane 89.82
    2-methyl-cyclohexyl acetate 28.08
    tetrabutyl urea 18.84
    diisobutyl methanol 9.85
    2-phenylethanol 33.61
    styrene 17.06
    dioctyl adipate 19.34
    dimethyl sulfate 54.53
    ethyl butyrate 24.47
    methyl lactate 21.52
    butyl lactate 16.75
    diethyl carbonate 22.63
    propanediol butyl ether 14.28
    triethyl orthoformate 21.1
    p-tert-butyltoluene 12.27
    methyl 4-tert-butylbenzoate 34.1
    morpholine 52.91
    tert-butylamine 8.7
    n-dodecanol 7.39
    dimethoxymethane 58.25
    ethylene carbonate 51.77
    cyrene 42.16
    2-ethoxyethyl acetate 33.4
    2-ethylhexyl acetate 25.36
    1,2,4-trichlorobenzene 50.14
    4-methylpyridine 53.0
    dibutyl ether 11.25
    2,6-dimethyl-4-heptanol 9.85
    DEF 39.14
    dimethyl isosorbide 50.66
    tetrachloroethylene 81.38
    eugenol 34.05
    triacetin 27.45
    span 80 19.16
    1,4-butanediol 9.86
    1,1-dichloroethane 42.86
    2-methyl-1-pentanol 14.59
    methyl formate 41.39
    2-methyl-1-butanol 12.59
    n-decane 2.3
    butyronitrile 18.79
    3,7-dimethyl-1-octanol 10.83
    1-chlorooctane 8.8
    1-chlorotetradecane 4.98
    n-nonane 1.89
    undecane 1.92
    tert-butylcyclohexane 2.75
    cyclooctane 1.72
    cyclopentanol 21.66
    tetrahydropyran 39.88
    tert-amyl methyl ether 14.46
    2,5,8-trioxanonane 46.51
    1-hexene 4.99
    2-isopropoxyethanol 25.68
    2,2,2-trifluoroethanol 32.18
    methyl butyrate 34.73

    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