Farnisin

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  • Identifiers

    CAS number
    54867-60-6

    Molecular formula
    C16H12O5

    SMILES
    COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 64.84%
    Vanilla 45.4%
    Sweet 45.37%
    Burnt 37.5%
    Spicy 32.7%
    Smoky 32.63%
    Balsamic 32.18%
    Creamy 30.96%
    Medicinal 30.88%
    Odorless 30.18%

     

    Flavor
    Bitter 92.49%
    Parsley 20.34%
    Eugenol 20.23%
    Sweet-like 20.05%
    Very strong 19.94%
    Cedarleaf 19.92%
    Lovage 19.9%
    Curry 19.85%
    Indole 19.71%
    Nitrile 19.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.2 (weak base)

    Molecular weight
    284.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    587°C

    Melting point expt.

    • 264 - 265 °C

    Flash point

    • 212.02 ˚C est.

  • Synonyms

    • Farnisin
    • 3',7-Dihydroxy-4'-methoxyflavone
    • 7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
    • RefChem:1085299
    • 54867-60-6
    • 7,3'-dihydroxy-4'-methoxyflavone
    • 7-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
    • 7-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one
    • SCHEMBL1744293
    • Calycosin, >=98% (HPLC)
    • CHEMBL5280286
    • SCHEMBL30960382
    • CHEBI:174709
    • QAGGICSUEVNSGH-UHFFFAOYSA-N
    • DTXSID301300741
    • LMPK12110047
    • FF159001
    • 7, 3a(2)-Dihydroxy-4a(2)-methoxyflavone
    • Q23055237
    • 54867-60-6

  • Applications

    Farnisin (CAS 54867-60-6) is primarily used as an odorant and as an intermediate in fragrance chemistry. In real-world applications, it is commonly evaluated for incorporation as a fragrance ingredient in cosmetics and personal care formulations, and as a scent additive in household products such as cleaners and air fresheners. It is also explored as a fragrance component in polymers and plastics, and in coatings and inks to impart odor profiles. Depending on formulation, regulatory constraints and local limits apply.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.5
    methanol 0.41
    isopropanol 0.87
    water 0.0
    ethyl acetate 0.95
    n-propanol 1.23
    acetone 0.84
    n-butanol 1.08
    acetonitrile 0.47
    DMF 11.59
    toluene 0.13
    isobutanol 0.85
    1,4-dioxane 5.32
    methyl acetate 1.6
    THF 28.41
    2-butanone 2.99
    n-pentanol 0.8
    sec-butanol 1.68
    n-hexane 0.01
    ethylene glycol 1.07
    NMP 7.0
    cyclohexane 0.0
    DMSO 50.03
    n-butyl acetate 1.05
    n-octanol 0.33
    chloroform 0.08
    n-propyl acetate 1.14
    acetic acid 1.98
    dichloromethane 0.16
    cyclohexanone 3.26
    propylene glycol 1.49
    isopropyl acetate 1.08
    DMAc 25.21
    2-ethoxyethanol 8.43
    isopentanol 1.27
    n-heptane 0.02
    ethyl formate 0.57
    1,2-dichloroethane 0.31
    n-hexanol 0.48
    2-methoxyethanol 15.82
    isobutyl acetate 0.7
    tetrachloromethane 0.01
    n-pentyl acetate 0.88
    transcutol 42.45
    n-heptanol 0.5
    ethylbenzene 0.12
    MIBK 1.33
    2-propoxyethanol 8.08
    tert-butanol 1.81
    MTBE 1.42
    2-butoxyethanol 3.81
    propionic acid 1.6
    o-xylene 0.17
    formic acid 1.65
    diethyl ether 0.73
    m-xylene 0.12
    p-xylene 0.16
    chlorobenzene 0.12
    dimethyl carbonate 1.72
    n-octane 0.01
    formamide 4.63
    cyclopentanone 6.34
    2-pentanone 1.46
    anisole 1.42
    cyclopentyl methyl ether 2.44
    gamma-butyrolactone 7.79
    1-methoxy-2-propanol 12.05
    pyridine 2.6
    3-pentanone 1.24
    furfural 6.43
    n-dodecane 0.02
    diethylene glycol 9.33
    diisopropyl ether 0.22
    tert-amyl alcohol 2.31
    acetylacetone 3.01
    n-hexadecane 0.02
    acetophenone 1.69
    methyl propionate 1.87
    isopentyl acetate 1.54
    trichloroethylene 0.71
    n-nonanol 0.47
    cyclohexanol 1.13
    benzyl alcohol 1.44
    2-ethylhexanol 0.57
    isooctanol 0.57
    dipropyl ether 1.32
    1,2-dichlorobenzene 0.19
    ethyl lactate 1.94
    propylene carbonate 1.72
    n-methylformamide 2.81
    2-pentanol 0.89
    n-pentane 0.0
    1-propoxy-2-propanol 5.87
    1-methoxy-2-propyl acetate 4.8
    2-(2-methoxypropoxy) propanol 8.33
    mesitylene 0.09
    ε-caprolactone 3.61
    p-cymene 0.23
    epichlorohydrin 12.23
    1,1,1-trichloroethane 0.09
    2-aminoethanol 2.11
    morpholine-4-carbaldehyde 17.58
    sulfolane 18.52
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 5.35
    n-hexyl acetate 1.13
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 9.23
    sec-butyl acetate 1.05
    tert-butyl acetate 2.07
    decalin 0.02
    glycerin 6.66
    diglyme 22.84
    acrylic acid 1.83
    isopropyl myristate 0.76
    n-butyric acid 1.5
    acetyl acetate 0.77
    di(2-ethylhexyl) phthalate 1.13
    ethyl propionate 1.45
    nitromethane 5.59
    1,2-diethoxyethane 5.92
    benzonitrile 0.71
    trioctyl phosphate 0.63
    1-bromopropane 0.13
    gamma-valerolactone 15.44
    n-decanol 0.38
    triethyl phosphate 1.74
    4-methyl-2-pentanol 0.63
    propionitrile 0.78
    vinylene carbonate 1.5
    1,1,2-trichlorotrifluoroethane 8.9
    DMS 2.33
    cumene 0.12
    2-octanol 0.32
    2-hexanone 1.48
    octyl acetate 0.84
    limonene 0.3
    1,2-dimethoxyethane 16.36
    ethyl orthosilicate 1.62
    tributyl phosphate 0.91
    diacetone alcohol 5.92
    N,N-dimethylaniline 1.16
    acrylonitrile 1.38
    aniline 0.87
    1,3-propanediol 4.05
    bromobenzene 0.08
    dibromomethane 0.06
    1,1,2,2-tetrachloroethane 0.78
    2-methyl-cyclohexyl acetate 1.67
    tetrabutyl urea 1.54
    diisobutyl methanol 0.68
    2-phenylethanol 1.26
    styrene 0.12
    dioctyl adipate 1.84
    dimethyl sulfate 5.67
    ethyl butyrate 1.61
    methyl lactate 3.73
    butyl lactate 1.7
    diethyl carbonate 1.29
    propanediol butyl ether 3.01
    triethyl orthoformate 2.49
    p-tert-butyltoluene 0.23
    methyl 4-tert-butylbenzoate 3.06
    morpholine 11.39
    tert-butylamine 0.48
    n-dodecanol 0.32
    dimethoxymethane 9.34
    ethylene carbonate 1.07
    cyrene 6.63
    2-ethoxyethyl acetate 3.2
    2-ethylhexyl acetate 1.1
    1,2,4-trichlorobenzene 0.44
    4-methylpyridine 1.41
    dibutyl ether 1.08
    2,6-dimethyl-4-heptanol 0.68
    DEF 3.79
    dimethyl isosorbide 13.74
    tetrachloroethylene 0.34
    eugenol 3.79
    triacetin 3.69
    span 80 3.83
    1,4-butanediol 1.11
    1,1-dichloroethane 0.08
    2-methyl-1-pentanol 1.14
    methyl formate 1.59
    2-methyl-1-butanol 1.34
    n-decane 0.02
    butyronitrile 0.53
    3,7-dimethyl-1-octanol 0.6
    1-chlorooctane 0.13
    1-chlorotetradecane 0.08
    n-nonane 0.01
    undecane 0.02
    tert-butylcyclohexane 0.02
    cyclooctane 0.0
    cyclopentanol 1.57
    tetrahydropyran 2.25
    tert-amyl methyl ether 1.69
    2,5,8-trioxanonane 17.14
    1-hexene 0.05
    2-isopropoxyethanol 4.94
    2,2,2-trifluoroethanol 0.92
    methyl butyrate 1.68

    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