(-)-Farrerol

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  • Identifiers

    CAS number
    24211-30-1

    Molecular formula
    C17H16O5

    SMILES
    CC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 73.4%
    Spicy 46.26%
    Sweet 44.13%
    Smoky 43.83%
    Medicinal 39.41%
    Burnt 37.31%
    Vanilla 31.59%
    Odorless 30.87%
    Woody 26.37%
    Leathery 24.12%

     

    Flavor
    Bitter 89.32%
    Odorless 21.5%
    Sweet-like 20.94%
    Cedarleaf 20.66%
    Bland 20.51%
    Lovage 20.47%
    Parsley 20.45%
    Eugenol 20.05%
    Ripe apricot 19.6%
    Red fruit 19.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    10.11 (weak base)

    Molecular weight
    300.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    996°C

    Flash point

    • 237.17 ˚C est.

  • Synonyms

    • Farrerol
    • (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydrochromen-4-one
    • (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-chroman-4-one
    • (-)-Farrerol
    • RefChem:70385
    • GlyTouCan:G24509CW
    • 2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-4H-1-benzopyran-4-one
    • G24509CW
    • 246-080-2
    • 24211-30-1
    • CHEMBL507611
    • CHEBI:67897
    • (S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethylchroman-4-one
    • (S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4-benzopyrone
    • (2~{S})-2-(4-hydroxyphenyl)-6,8-dimethyl-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
    • AC1L9CQK
    • DTXSID40947026
    • DYHOLQACRGJEHX-ZDUSSCGKSA-N
    • Farrerol, >=98% (HPLC)
    • SCHEMBL28048308
    • HY-N0344
    • MFCD28347824
    • s9552
    • ZINC04098306
    • AKOS015896732
    • AC-34143
    • CS-0008902
    • C09734
    • Q27104948
    • (2S)-2-(4-hydroxyphenyl)-6,8-dimethyl-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
    • (2S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
    • 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-2,3-dihydro-4H-1-benzopyran-4-one
    • JXY
    • 24211-30-1

  • Applications

    (-)-Farrerol (CAS 24211-30-1) is a natural flavonoid-like compound that appears in a variety of industrial and research contexts. It is commonly used as an intermediate in the synthesis of flavonoid derivatives and natural product analogs. It is also evaluated as an antioxidant and may be used in cosmetics/personal care formulations subject to local regulations. In pharmaceutical R&D, it can serve as a building block or precursor for the synthesis of more complex molecules. In agricultural research, it is studied as a phytoalexin or plant defense elicitor to explore crop protection strategies. Finally, it is used as a reference standard or analytical probe for flavonoid analysis and method development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.13
    methanol 12.88
    isopropanol 14.92
    water 0.04
    ethyl acetate 30.83
    n-propanol 8.51
    acetone 98.53
    n-butanol 9.63
    acetonitrile 25.16
    DMF 166.54
    toluene 3.36
    isobutanol 8.32
    1,4-dioxane 112.78
    methyl acetate 36.56
    THF 403.31
    2-butanone 53.95
    n-pentanol 8.95
    sec-butanol 8.3
    n-hexane 0.1
    ethylene glycol 6.37
    NMP 58.32
    cyclohexane 0.17
    DMSO 399.09
    n-butyl acetate 18.79
    n-octanol 7.83
    chloroform 11.21
    n-propyl acetate 20.19
    acetic acid 21.0
    dichloromethane 8.31
    cyclohexanone 63.16
    propylene glycol 8.64
    isopropyl acetate 24.44
    DMAc 165.95
    2-ethoxyethanol 46.77
    isopentanol 13.45
    n-heptane 0.29
    ethyl formate 18.5
    1,2-dichloroethane 13.02
    n-hexanol 8.61
    2-methoxyethanol 90.46
    isobutyl acetate 13.82
    tetrachloromethane 1.29
    n-pentyl acetate 13.89
    transcutol 93.08
    n-heptanol 8.28
    ethylbenzene 2.53
    MIBK 27.34
    2-propoxyethanol 63.85
    tert-butanol 43.39
    MTBE 17.48
    2-butoxyethanol 27.34
    propionic acid 12.54
    o-xylene 3.17
    formic acid 12.8
    diethyl ether 12.24
    m-xylene 3.67
    p-xylene 4.04
    chlorobenzene 5.37
    dimethyl carbonate 36.47
    n-octane 0.23
    formamide 37.1
    cyclopentanone 122.74
    2-pentanone 44.26
    anisole 15.79
    cyclopentyl methyl ether 32.17
    gamma-butyrolactone 109.38
    1-methoxy-2-propanol 82.06
    pyridine 23.67
    3-pentanone 28.61
    furfural 57.1
    n-dodecane 0.42
    diethylene glycol 69.66
    diisopropyl ether 4.69
    tert-amyl alcohol 16.2
    acetylacetone 86.46
    n-hexadecane 0.5
    acetophenone 18.96
    methyl propionate 33.2
    isopentyl acetate 19.68
    trichloroethylene 27.84
    n-nonanol 8.94
    cyclohexanol 11.25
    benzyl alcohol 14.56
    2-ethylhexanol 7.25
    isooctanol 8.18
    dipropyl ether 11.15
    1,2-dichlorobenzene 6.42
    ethyl lactate 19.1
    propylene carbonate 30.61
    n-methylformamide 52.35
    2-pentanol 7.96
    n-pentane 0.07
    1-propoxy-2-propanol 42.4
    1-methoxy-2-propyl acetate 41.35
    2-(2-methoxypropoxy) propanol 35.64
    mesitylene 2.94
    ε-caprolactone 36.98
    p-cymene 3.71
    epichlorohydrin 125.24
    1,1,1-trichloroethane 10.53
    2-aminoethanol 9.55
    morpholine-4-carbaldehyde 95.83
    sulfolane 148.78
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 51.71
    n-hexyl acetate 18.08
    isooctane 0.29
    2-(2-butoxyethoxy)ethanol 43.19
    sec-butyl acetate 13.64
    tert-butyl acetate 33.98
    decalin 0.36
    glycerin 29.65
    diglyme 88.67
    acrylic acid 14.66
    isopropyl myristate 9.75
    n-butyric acid 20.64
    acetyl acetate 25.06
    di(2-ethylhexyl) phthalate 11.02
    ethyl propionate 20.32
    nitromethane 121.49
    1,2-diethoxyethane 32.4
    benzonitrile 14.78
    trioctyl phosphate 8.98
    1-bromopropane 3.35
    gamma-valerolactone 130.32
    n-decanol 6.95
    triethyl phosphate 13.64
    4-methyl-2-pentanol 7.93
    propionitrile 21.13
    vinylene carbonate 27.16
    1,1,2-trichlorotrifluoroethane 53.21
    DMS 23.4
    cumene 2.3
    2-octanol 6.03
    2-hexanone 27.46
    octyl acetate 11.5
    limonene 4.52
    1,2-dimethoxyethane 116.1
    ethyl orthosilicate 12.46
    tributyl phosphate 10.25
    diacetone alcohol 55.02
    N,N-dimethylaniline 10.43
    acrylonitrile 32.77
    aniline 9.8
    1,3-propanediol 26.06
    bromobenzene 4.14
    dibromomethane 3.93
    1,1,2,2-tetrachloroethane 27.04
    2-methyl-cyclohexyl acetate 15.44
    tetrabutyl urea 16.22
    diisobutyl methanol 7.5
    2-phenylethanol 16.84
    styrene 2.75
    dioctyl adipate 15.25
    dimethyl sulfate 64.48
    ethyl butyrate 16.7
    methyl lactate 33.64
    butyl lactate 16.0
    diethyl carbonate 13.49
    propanediol butyl ether 22.32
    triethyl orthoformate 16.54
    p-tert-butyltoluene 3.96
    methyl 4-tert-butylbenzoate 23.89
    morpholine 88.83
    tert-butylamine 8.98
    n-dodecanol 5.26
    dimethoxymethane 154.17
    ethylene carbonate 25.87
    cyrene 37.33
    2-ethoxyethyl acetate 27.1
    2-ethylhexyl acetate 14.09
    1,2,4-trichlorobenzene 9.29
    4-methylpyridine 23.07
    dibutyl ether 9.72
    2,6-dimethyl-4-heptanol 7.5
    DEF 39.08
    dimethyl isosorbide 67.45
    tetrachloroethylene 12.82
    eugenol 24.35
    triacetin 26.25
    span 80 21.74
    1,4-butanediol 9.9
    1,1-dichloroethane 9.42
    2-methyl-1-pentanol 9.55
    methyl formate 53.62
    2-methyl-1-butanol 8.61
    n-decane 0.65
    butyronitrile 15.63
    3,7-dimethyl-1-octanol 9.1
    1-chlorooctane 3.51
    1-chlorotetradecane 1.73
    n-nonane 0.46
    undecane 0.52
    tert-butylcyclohexane 0.4
    cyclooctane 0.13
    cyclopentanol 17.72
    tetrahydropyran 36.63
    tert-amyl methyl ether 12.11
    2,5,8-trioxanonane 67.8
    1-hexene 0.73
    2-isopropoxyethanol 33.22
    2,2,2-trifluoroethanol 14.26
    methyl butyrate 25.6

    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