(+-)-Homoferreirin

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  • Identifiers

    CAS number
    482-01-9

    Molecular formula
    C17H16O6

    SMILES
    COC1=CC(=C(C=C1)C2COC3=CC(=CC(=C3C2=O)O)O)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 52.83%
    Phenolic 49.23%
    Vanilla 40.07%
    Spicy 39.76%
    Odorless 33.94%
    Balsamic 28.89%
    Woody 26.81%
    Powdery 26.68%
    Creamy 25.94%
    Smoky 25.22%

     

    Flavor
    Bitter 91.08%
    Bland 24.69%
    Parsley 20.62%
    Cedarleaf 20.47%
    Odorless 20.31%
    Lovage 20.17%
    Sweet-like 20.02%
    Ripe apricot 19.06%
    Red fruit 18.68%
    Ethyl benzoate 18.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.1 (weak base)

    Molecular weight
    316.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    701°C

    Melting point expt.

    • 168 - 169 °C

    Flash point

    • 223.27 ˚C est.

  • Synonyms

    • Homoferreirin
    • 482-01-9
    • 3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
    • CHEBI:5754
    • DTXSID50331952
    • (+-)-Homoferreirin
    • RefChem:934623
    • GlyTouCan:G49678VE
    • DTXCID30283046
    • G49678VE
    • 3-(2,4-DIMETHOXYPHENYL)-5,7-DIHYDROXY-CHROMAN-4-ONE
    • 3-(2,4-Dimethoxyphenyl)-5,7-dihydroxychroman-4-one
    • 5,7-dihydroxy-2',4'-dimethoxyisoflavanone
    • 3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
    • 3-(2,4-dimethoxyphenyl)-5,7-dihydroxy-2,3-dihydro-4H-1-benzopyran-4-one
    • (+/-)-Homoferreirin
    • starbld0019167
    • orb1991888
    • LMPK12050502
    • AKOS030553610
    • FS-9424
    • XH161798
    • 5,7-Dihydroxy-2?,4?-dimethoxyisoflavanone
    • Q27106879
    • 3-(2,4-Dimethoxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
    • 482-01-9

  • Applications

    (+-)-Homoferreirin (CAS 482-01-9) is primarily used as an intermediate in organic synthesis and as a chiral building block for pharmaceutical and agrochemical research; it may be evaluated as a precursor for fragrance and cosmetic formulations; in polymer science it can serve as a specialty monomer or additive for coatings and inks; handling and applications are subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.04
    methanol 4.19
    isopropanol 3.55
    water 0.0
    ethyl acetate 23.26
    n-propanol 3.15
    acetone 65.5
    n-butanol 2.78
    acetonitrile 29.8
    DMF 141.84
    toluene 1.57
    isobutanol 3.07
    1,4-dioxane 46.42
    methyl acetate 31.8
    THF 188.59
    2-butanone 39.68
    n-pentanol 2.86
    sec-butanol 3.04
    n-hexane 0.06
    ethylene glycol 3.51
    NMP 95.48
    cyclohexane 0.16
    DMSO 733.43
    n-butyl acetate 10.55
    n-octanol 3.04
    chloroform 19.83
    n-propyl acetate 12.45
    acetic acid 21.64
    dichloromethane 19.36
    cyclohexanone 49.24
    propylene glycol 3.53
    isopropyl acetate 12.2
    DMAc 209.63
    2-ethoxyethanol 22.71
    isopentanol 4.11
    n-heptane 0.14
    ethyl formate 15.99
    1,2-dichloroethane 21.71
    n-hexanol 2.79
    2-methoxyethanol 44.52
    isobutyl acetate 7.07
    tetrachloromethane 1.64
    n-pentyl acetate 5.69
    transcutol 47.94
    n-heptanol 2.34
    ethylbenzene 1.1
    MIBK 13.36
    2-propoxyethanol 30.52
    tert-butanol 10.23
    MTBE 5.05
    2-butoxyethanol 11.75
    propionic acid 9.51
    o-xylene 1.73
    formic acid 10.42
    diethyl ether 4.65
    m-xylene 1.43
    p-xylene 1.95
    chlorobenzene 4.19
    dimethyl carbonate 27.04
    n-octane 0.08
    formamide 30.41
    cyclopentanone 102.7
    2-pentanone 25.42
    anisole 8.79
    cyclopentyl methyl ether 17.13
    gamma-butyrolactone 108.76
    1-methoxy-2-propanol 31.82
    pyridine 18.6
    3-pentanone 20.15
    furfural 54.94
    n-dodecane 0.16
    diethylene glycol 35.65
    diisopropyl ether 1.56
    tert-amyl alcohol 5.44
    acetylacetone 58.04
    n-hexadecane 0.2
    acetophenone 13.36
    methyl propionate 27.78
    isopentyl acetate 10.52
    trichloroethylene 45.29
    n-nonanol 3.26
    cyclohexanol 5.23
    benzyl alcohol 7.77
    2-ethylhexanol 3.0
    isooctanol 2.54
    dipropyl ether 5.37
    1,2-dichlorobenzene 6.03
    ethyl lactate 11.57
    propylene carbonate 26.22
    n-methylformamide 38.92
    2-pentanol 2.1
    n-pentane 0.05
    1-propoxy-2-propanol 18.72
    1-methoxy-2-propyl acetate 24.44
    2-(2-methoxypropoxy) propanol 22.41
    mesitylene 1.21
    ε-caprolactone 30.82
    p-cymene 1.86
    epichlorohydrin 118.13
    1,1,1-trichloroethane 12.85
    2-aminoethanol 4.34
    morpholine-4-carbaldehyde 76.91
    sulfolane 162.99
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 29.9
    n-hexyl acetate 8.14
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 21.84
    sec-butyl acetate 7.05
    tert-butyl acetate 15.06
    decalin 0.19
    glycerin 15.3
    diglyme 55.9
    acrylic acid 12.87
    isopropyl myristate 4.51
    n-butyric acid 11.7
    acetyl acetate 20.09
    di(2-ethylhexyl) phthalate 6.33
    ethyl propionate 13.58
    nitromethane 152.89
    1,2-diethoxyethane 12.83
    benzonitrile 10.87
    trioctyl phosphate 4.48
    1-bromopropane 3.76
    gamma-valerolactone 103.0
    n-decanol 2.54
    triethyl phosphate 9.9
    4-methyl-2-pentanol 2.34
    propionitrile 16.71
    vinylene carbonate 22.77
    1,1,2-trichlorotrifluoroethane 65.31
    DMS 15.65
    cumene 1.07
    2-octanol 1.66
    2-hexanone 14.85
    octyl acetate 5.57
    limonene 2.47
    1,2-dimethoxyethane 63.96
    ethyl orthosilicate 7.89
    tributyl phosphate 6.23
    diacetone alcohol 26.37
    N,N-dimethylaniline 5.99
    acrylonitrile 30.57
    aniline 5.65
    1,3-propanediol 8.74
    bromobenzene 3.61
    dibromomethane 8.25
    1,1,2,2-tetrachloroethane 34.0
    2-methyl-cyclohexyl acetate 10.21
    tetrabutyl urea 10.2
    diisobutyl methanol 2.66
    2-phenylethanol 8.6
    styrene 1.33
    dioctyl adipate 9.32
    dimethyl sulfate 68.0
    ethyl butyrate 11.27
    methyl lactate 21.4
    butyl lactate 7.48
    diethyl carbonate 9.8
    propanediol butyl ether 9.45
    triethyl orthoformate 9.63
    p-tert-butyltoluene 1.65
    methyl 4-tert-butylbenzoate 14.2
    morpholine 46.34
    tert-butylamine 2.44
    n-dodecanol 1.98
    dimethoxymethane 80.55
    ethylene carbonate 21.62
    cyrene 27.09
    2-ethoxyethyl acetate 13.02
    2-ethylhexyl acetate 7.64
    1,2,4-trichlorobenzene 9.16
    4-methylpyridine 16.47
    dibutyl ether 4.21
    2,6-dimethyl-4-heptanol 2.66
    DEF 31.91
    dimethyl isosorbide 45.01
    tetrachloroethylene 15.97
    eugenol 14.2
    triacetin 15.84
    span 80 11.64
    1,4-butanediol 3.49
    1,1-dichloroethane 10.79
    2-methyl-1-pentanol 3.44
    methyl formate 37.41
    2-methyl-1-butanol 3.05
    n-decane 0.24
    butyronitrile 9.82
    3,7-dimethyl-1-octanol 3.73
    1-chlorooctane 1.58
    1-chlorotetradecane 0.77
    n-nonane 0.18
    undecane 0.19
    tert-butylcyclohexane 0.16
    cyclooctane 0.08
    cyclopentanol 9.18
    tetrahydropyran 18.67
    tert-amyl methyl ether 4.59
    2,5,8-trioxanonane 45.04
    1-hexene 0.34
    2-isopropoxyethanol 14.74
    2,2,2-trifluoroethanol 15.77
    methyl butyrate 18.41

    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