Alfalone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    970-48-9

    Molecular formula
    C17H14O5

    SMILES
    COC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 72.87%
    Vanilla 61.23%
    Phenolic 58.83%
    Spicy 46.45%
    Powdery 44.42%
    Balsamic 39.1%
    Smoky 37.98%
    Fruity 37.1%
    Floral 35.79%
    Creamy 35.29%

     

    Flavor
    Bitter 91.72%
    Vanilla 21.67%
    Parsley 19.97%
    Eugenol 19.88%
    Lovage 19.08%
    Sweet 19.04%
    Curry 18.96%
    Ham 18.88%
    Cedarleaf 18.8%
    Very strong 18.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.34 (weak base)

    Molecular weight
    298.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    539°C

    Melting point expt.

    • 246 - 247 °C

    Flash point

    • 203.12 ˚C est.

  • Synonyms

    • Alfalone
    • 6-Hydroxy-7,4'-dimethoxyisoflavone
    • Alfalone (isoflavone)
    • 6-hydroxy-7-methoxy-3-(4-methoxyphenyl)chromen-4-one
    • Isoflavone, 6-hydroxy-4',7-dimethoxy-
    • 4H-1-Benzopyran-4-one, 6-hydroxy-7-methoxy-3-(4-methoxyphenyl)-
    • RefChem:110682
    • 970-48-9
    • 6-hydroxy-7-methoxy-3-(4-methoxyphenyl)-4H-chromen-4-one
    • 4',7-DIMETHOXY-6-HYDROXYISOFLAVONE
    • 6-Hydroxy-7-methoxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one
    • Texasin 7-methylether
    • 9NJ9MMB4ZA
    • orb2945828
    • CHEMBL3982563
    • SCHEMBL29448332
    • CHEBI:174838
    • DTXSID301297861
    • 6-Hydroxy-4',7-dimethoxyisoflavone
    • LMPK12050105
    • STL434860
    • AKOS027380838
    • FA65348
    • HY-W470415
    • 6-Hydroxy-7,4a(2)-dimethoxyisoflavone
    • G83875
    • 7-Methoxy-3-(4-methoxyphenyl)-6-oxidanyl-chromen-4-one
    • 6-Hydroxy-7,4 inverted exclamation marka-dimethoxyisoflavone
    • 970-48-9

  • Applications

    Alfalone (CAS 970-48-9) is an organic compound considered for a range of industrial applications, potentially used as an odorant or fixative in fragrance and cosmetics formulations; may serve as a solvent or intermediate in polymer systems and coatings (paints and inks); may function as a solvent or additive in cleaning products; and is evaluated for roles in general industrial manufacturing depending on process conditions and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.21
    methanol 0.15
    isopropanol 0.38
    water 0.0
    ethyl acetate 0.99
    n-propanol 0.49
    acetone 1.17
    n-butanol 0.4
    acetonitrile 0.69
    DMF 3.01
    toluene 0.5
    isobutanol 0.39
    1,4-dioxane 5.26
    methyl acetate 1.62
    THF 15.03
    2-butanone 2.36
    n-pentanol 0.38
    sec-butanol 0.59
    n-hexane 0.02
    ethylene glycol 0.23
    NMP 2.32
    cyclohexane 0.04
    DMSO 13.52
    n-butyl acetate 0.82
    n-octanol 0.18
    chloroform 2.19
    n-propyl acetate 0.88
    acetic acid 1.49
    dichloromethane 2.97
    cyclohexanone 2.53
    propylene glycol 0.26
    isopropyl acetate 0.92
    DMAc 8.99
    2-ethoxyethanol 2.49
    isopentanol 0.56
    n-heptane 0.04
    ethyl formate 0.47
    1,2-dichloroethane 2.49
    n-hexanol 0.3
    2-methoxyethanol 3.17
    isobutyl acetate 0.62
    tetrachloromethane 0.13
    n-pentyl acetate 0.63
    transcutol 11.33
    n-heptanol 0.28
    ethylbenzene 0.34
    MIBK 0.92
    2-propoxyethanol 2.65
    tert-butanol 1.03
    MTBE 1.17
    2-butoxyethanol 1.62
    propionic acid 0.74
    o-xylene 0.44
    formic acid 0.54
    diethyl ether 0.9
    m-xylene 0.26
    p-xylene 0.54
    chlorobenzene 0.48
    dimethyl carbonate 1.04
    n-octane 0.02
    formamide 1.38
    cyclopentanone 3.64
    2-pentanone 0.96
    anisole 1.42
    cyclopentyl methyl ether 1.81
    gamma-butyrolactone 3.79
    1-methoxy-2-propanol 2.27
    pyridine 4.0
    3-pentanone 1.32
    furfural 4.03
    n-dodecane 0.02
    diethylene glycol 2.67
    diisopropyl ether 0.33
    tert-amyl alcohol 1.05
    acetylacetone 1.95
    n-hexadecane 0.03
    acetophenone 1.53
    methyl propionate 1.22
    isopentyl acetate 1.32
    trichloroethylene 5.1
    n-nonanol 0.28
    cyclohexanol 0.7
    benzyl alcohol 1.02
    2-ethylhexanol 0.43
    isooctanol 0.38
    dipropyl ether 1.13
    1,2-dichlorobenzene 0.75
    ethyl lactate 0.68
    propylene carbonate 1.1
    n-methylformamide 0.83
    2-pentanol 0.34
    n-pentane 0.01
    1-propoxy-2-propanol 1.79
    1-methoxy-2-propyl acetate 2.45
    2-(2-methoxypropoxy) propanol 3.68
    mesitylene 0.19
    ε-caprolactone 2.28
    p-cymene 0.42
    epichlorohydrin 9.72
    1,1,1-trichloroethane 1.04
    2-aminoethanol 0.43
    morpholine-4-carbaldehyde 5.86
    sulfolane 6.81
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 3.6
    n-hexyl acetate 0.64
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 3.58
    sec-butyl acetate 0.81
    tert-butyl acetate 1.71
    decalin 0.05
    glycerin 1.26
    diglyme 10.06
    acrylic acid 0.97
    isopropyl myristate 0.61
    n-butyric acid 0.81
    acetyl acetate 0.91
    di(2-ethylhexyl) phthalate 0.83
    ethyl propionate 1.13
    nitromethane 4.07
    1,2-diethoxyethane 3.35
    benzonitrile 0.89
    trioctyl phosphate 0.41
    1-bromopropane 0.74
    gamma-valerolactone 6.75
    n-decanol 0.24
    triethyl phosphate 1.56
    4-methyl-2-pentanol 0.33
    propionitrile 0.88
    vinylene carbonate 1.13
    1,1,2-trichlorotrifluoroethane 5.89
    DMS 1.62
    cumene 0.3
    2-octanol 0.19
    2-hexanone 1.13
    octyl acetate 0.58
    limonene 0.5
    1,2-dimethoxyethane 6.98
    ethyl orthosilicate 1.57
    tributyl phosphate 0.67
    diacetone alcohol 2.48
    N,N-dimethylaniline 1.25
    acrylonitrile 1.41
    aniline 1.03
    1,3-propanediol 1.0
    bromobenzene 0.5
    dibromomethane 1.22
    1,1,2,2-tetrachloroethane 3.95
    2-methyl-cyclohexyl acetate 1.61
    tetrabutyl urea 1.15
    diisobutyl methanol 0.57
    2-phenylethanol 1.05
    styrene 0.37
    dioctyl adipate 1.28
    dimethyl sulfate 2.74
    ethyl butyrate 1.28
    methyl lactate 1.02
    butyl lactate 0.76
    diethyl carbonate 1.27
    propanediol butyl ether 0.8
    triethyl orthoformate 1.8
    p-tert-butyltoluene 0.4
    methyl 4-tert-butylbenzoate 2.31
    morpholine 6.23
    tert-butylamine 0.43
    n-dodecanol 0.21
    dimethoxymethane 3.22
    ethylene carbonate 0.88
    cyrene 2.75
    2-ethoxyethyl acetate 1.93
    2-ethylhexyl acetate 1.03
    1,2,4-trichlorobenzene 1.31
    4-methylpyridine 1.66
    dibutyl ether 0.83
    2,6-dimethyl-4-heptanol 0.57
    DEF 1.77
    dimethyl isosorbide 7.58
    tetrachloroethylene 2.18
    eugenol 2.29
    triacetin 1.72
    span 80 1.6
    1,4-butanediol 0.32
    1,1-dichloroethane 0.83
    2-methyl-1-pentanol 0.6
    methyl formate 0.72
    2-methyl-1-butanol 0.52
    n-decane 0.04
    butyronitrile 0.53
    3,7-dimethyl-1-octanol 0.39
    1-chlorooctane 0.18
    1-chlorotetradecane 0.11
    n-nonane 0.03
    undecane 0.03
    tert-butylcyclohexane 0.05
    cyclooctane 0.02
    cyclopentanol 0.8
    tetrahydropyran 3.0
    tert-amyl methyl ether 1.25
    2,5,8-trioxanonane 8.32
    1-hexene 0.13
    2-isopropoxyethanol 1.69
    2,2,2-trifluoroethanol 0.66
    methyl butyrate 1.19

    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