Flazin

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  • Identifiers

    CAS number
    100041-05-2

    Molecular formula
    C17H12N2O4

    SMILES
    C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C4=CC=C(O4)CO)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 40.86%
    Fruity 40.31%
    Grape 35.01%
    Fatty 29.88%
    Burnt 28.39%
    Cooked 28.16%
    Neroli 26.39%
    Roasted 25.75%
    Floral 24.78%
    Powdery 22.41%

     

    Flavor
    Bitter 82.36%
    Odorless 44.27%
    Mild 28.14%
    Bland 23.41%
    Sweet-like 22.23%
    Very mild 21.9%
    Bread crust 21.71%
    Very strong 20.93%
    Roasted peanuts 20.83%
    Indole 20.72%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    5.86 (weak acid)

    Molecular weight
    308.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1107°C

    Melting point expt.

    • 231 - 233 °C

    Flash point

    • 318.65 ˚C est.

  • Synonyms

    • Flazin
    • 100041-05-2
    • Flazine
    • 9H-Pyrido[3,4-b]indole-3-carboxylic acid, 1-[5-(hydroxymethyl)-2-furanyl]-
    • DTXSID20142890
    • TD7945QG78
    • 9H-Pyrido(3,4-b)indole-3-carboxylic acid, 1-(5-(hydroxymethyl)-2-furanyl)-
    • RefChem:921652
    • DTXCID2065381
    • 1-[5-(hydroxymethyl)furan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
    • 1-(5-(Hydroxymethyl)furan-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
    • 1-[5-(hydroxymethyl)-2-furyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
    • 1-(5-(Hydroxymethyl)furan-2-yl)-9H-pyrido(3,4-b)indole-3-carboxylic acid
    • orb1680647
    • CHEMBL1822160
    • SCHEMBL18939677
    • SCHEMBL31501219
    • CHEBI:69443
    • USBWYUYKHHILLZ-UHFFFAOYSA-
    • USBWYUYKHHILLZ-UHFFFAOYSA-N
    • AEA04105
    • EX-A5451
    • AKOS040763155
    • DA-53219
    • HY-141508
    • CS-0173663
    • F92711
    • Q27137781
    • 1-[5-(Hydroxymethyl)-2-furanyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid
    • 1-[5-(Hydroxymethyl)-2-furyl]-9H-beta-carboline-3-carboxylic acid #
    • 1-[5-(Hydroxymethyl)-2-furanyl]-9H-pyrido[3,4-b]indole-3-carboxylic acid, 9CI
    • InChI=1/C17H12N2O4/c20-8-9-5-6-14(23-9)16-15-11(7-13(19-16)17(21)22)10-3-1-2-4-12(10)18-15/h1-7,18,20H,8H2,(H,21,22)
    • 100041-05-2

  • Applications

    Flazin, CAS 100041-05-2, is typically used as an odorant in perfumery and as a flavor/aroma component in food processing, depending on regulatory allowances. It is commonly evaluated for use in cosmetics and personal care formulations as a fragrance ingredient. In industrial manufacturing, it may serve as an intermediate in organic synthesis for fragrance-related chemicals. It can also be employed in household products and cleaning formulations to impart or stabilize specific aroma profiles. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.98
    methanol 3.01
    isopropanol 1.24
    water 0.1
    ethyl acetate 1.23
    n-propanol 2.14
    acetone 0.53
    n-butanol 1.88
    acetonitrile 0.21
    DMF 39.06
    toluene 0.16
    isobutanol 1.21
    1,4-dioxane 1.68
    methyl acetate 1.66
    THF 7.26
    2-butanone 2.52
    n-pentanol 1.1
    sec-butanol 2.1
    n-hexane 0.01
    ethylene glycol 7.76
    NMP 32.8
    cyclohexane 0.02
    DMSO 26.62
    n-butyl acetate 1.04
    n-octanol 0.54
    chloroform 0.08
    n-propyl acetate 0.92
    acetic acid 3.35
    dichloromethane 0.13
    cyclohexanone 2.94
    propylene glycol 7.85
    isopropyl acetate 1.12
    DMAc 72.88
    2-ethoxyethanol 12.52
    isopentanol 1.58
    n-heptane 0.03
    ethyl formate 1.01
    1,2-dichloroethane 0.22
    n-hexanol 0.84
    2-methoxyethanol 36.19
    isobutyl acetate 0.45
    tetrachloromethane 0.03
    n-pentyl acetate 1.32
    transcutol 33.19
    n-heptanol 1.07
    ethylbenzene 0.12
    MIBK 1.09
    2-propoxyethanol 11.54
    tert-butanol 1.02
    MTBE 0.54
    2-butoxyethanol 7.51
    propionic acid 4.25
    o-xylene 0.2
    formic acid 11.64
    diethyl ether 0.54
    m-xylene 0.16
    p-xylene 0.15
    chlorobenzene 0.1
    dimethyl carbonate 3.74
    n-octane 0.02
    formamide 22.27
    cyclopentanone 5.23
    2-pentanone 1.48
    anisole 0.75
    cyclopentyl methyl ether 1.74
    gamma-butyrolactone 7.39
    1-methoxy-2-propanol 24.39
    pyridine 2.35
    3-pentanone 1.49
    furfural 8.06
    n-dodecane 0.02
    diethylene glycol 18.6
    diisopropyl ether 0.2
    tert-amyl alcohol 1.94
    acetylacetone 2.88
    n-hexadecane 0.03
    acetophenone 1.6
    methyl propionate 3.58
    isopentyl acetate 1.23
    trichloroethylene 0.46
    n-nonanol 0.69
    cyclohexanol 1.43
    benzyl alcohol 1.8
    2-ethylhexanol 0.61
    isooctanol 0.92
    dipropyl ether 0.78
    1,2-dichlorobenzene 0.17
    ethyl lactate 3.82
    propylene carbonate 2.76
    n-methylformamide 11.14
    2-pentanol 1.2
    n-pentane 0.01
    1-propoxy-2-propanol 6.88
    1-methoxy-2-propyl acetate 4.7
    2-(2-methoxypropoxy) propanol 9.19
    mesitylene 0.12
    ε-caprolactone 4.23
    p-cymene 0.23
    epichlorohydrin 5.07
    1,1,1-trichloroethane 0.05
    2-aminoethanol 9.43
    morpholine-4-carbaldehyde 25.78
    sulfolane 17.65
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.33
    n-hexyl acetate 1.14
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 11.73
    sec-butyl acetate 0.77
    tert-butyl acetate 1.39
    decalin 0.02
    glycerin 31.27
    diglyme 18.98
    acrylic acid 6.13
    isopropyl myristate 0.62
    n-butyric acid 3.16
    acetyl acetate 0.66
    di(2-ethylhexyl) phthalate 1.44
    ethyl propionate 1.29
    nitromethane 5.42
    1,2-diethoxyethane 2.6
    benzonitrile 0.58
    trioctyl phosphate 0.92
    1-bromopropane 0.11
    gamma-valerolactone 14.94
    n-decanol 0.55
    triethyl phosphate 1.47
    4-methyl-2-pentanol 0.71
    propionitrile 0.55
    vinylene carbonate 2.41
    1,1,2-trichlorotrifluoroethane 13.94
    DMS 2.95
    cumene 0.11
    2-octanol 0.6
    2-hexanone 0.93
    octyl acetate 0.92
    limonene 0.32
    1,2-dimethoxyethane 8.99
    ethyl orthosilicate 1.32
    tributyl phosphate 1.01
    diacetone alcohol 6.21
    N,N-dimethylaniline 0.87
    acrylonitrile 1.28
    aniline 1.12
    1,3-propanediol 11.83
    bromobenzene 0.07
    dibromomethane 0.06
    1,1,2,2-tetrachloroethane 0.56
    2-methyl-cyclohexyl acetate 1.25
    tetrabutyl urea 2.19
    diisobutyl methanol 0.46
    2-phenylethanol 1.65
    styrene 0.14
    dioctyl adipate 1.48
    dimethyl sulfate 9.86
    ethyl butyrate 1.19
    methyl lactate 12.37
    butyl lactate 3.67
    diethyl carbonate 1.07
    propanediol butyl ether 7.84
    triethyl orthoformate 1.66
    p-tert-butyltoluene 0.22
    methyl 4-tert-butylbenzoate 3.72
    morpholine 5.35
    tert-butylamine 0.32
    n-dodecanol 0.41
    dimethoxymethane 13.18
    ethylene carbonate 1.6
    cyrene 10.14
    2-ethoxyethyl acetate 3.68
    2-ethylhexyl acetate 0.88
    1,2,4-trichlorobenzene 0.36
    4-methylpyridine 1.3
    dibutyl ether 0.49
    2,6-dimethyl-4-heptanol 0.46
    DEF 6.88
    dimethyl isosorbide 9.88
    tetrachloroethylene 0.47
    eugenol 5.42
    triacetin 3.82
    span 80 5.7
    1,4-butanediol 3.88
    1,1-dichloroethane 0.06
    2-methyl-1-pentanol 1.14
    methyl formate 4.54
    2-methyl-1-butanol 1.91
    n-decane 0.03
    butyronitrile 0.43
    3,7-dimethyl-1-octanol 0.58
    1-chlorooctane 0.11
    1-chlorotetradecane 0.07
    n-nonane 0.02
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.01
    cyclopentanol 2.11
    tetrahydropyran 0.97
    tert-amyl methyl ether 1.05
    2,5,8-trioxanonane 14.4
    1-hexene 0.06
    2-isopropoxyethanol 5.88
    2,2,2-trifluoroethanol 2.68
    methyl butyrate 1.63

    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