(2S)-2,3-Dihydro-5-hydroxy-7-methoxy-6-(3-methyl-2-buten-1-yl)-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    55303-95-2

    Molecular formula
    C24H28O7

    SMILES
    CC(=CCC1=C(C=C2C(=C1O)C(=O)C[C@H](O2)C3=CC(=C(C(=C3)OC)OC)OC)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 64.05%
    Sweet 42.87%
    Woody 41.45%
    Phenolic 39.53%
    Balsamic 32.42%
    Floral 32.36%
    Vanilla 30.97%
    Herbal 30.19%
    Smoky 30.04%
    Warm 29.89%

     

    Flavor
    Bitter 77.67%
    Bland 23.96%
    Parsley 21.77%
    Cedarleaf 20.1%
    Lovage 19.78%
    Eugenol 18.85%
    Ripe apricot 18.65%
    Carrot 18.57%
    Spice 18.5%
    Red fruit 18.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    8.02 (weak base)

    Molecular weight
    428.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1098°C

    Flash point

    • 182.89 ˚C est.

  • Synonyms

    • Artoflavanone
    • 55303-95-2
    • (2S)-2,3-Dihydro-5-hydroxy-7-methoxy-6-(3-methyl-2-buten-1-yl)-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one
    • F9D6LGW9U7
    • DTXSID901108107
    • (2S)-7-METHOXY-6-(3-METHYLBUT-2-ENYL)-5-OXIDANYL-2-(3,4,5-TRIMETHOXYPHENYL)-2,3-DIHYDROCHROMEN-4-ONE
    • 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7-methoxy-6-(3-methyl-2-buten-1-yl)-2-(3,4,5-trimethoxyphenyl)-, (2S)-
    • 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7-methoxy-6-(3-methyl-2-butenyl)-2-(3,4,5-trimethoxyphenyl)-, (S)-
    • 55303-95-2

  • Applications

    Chemical name: (2S)-2,3-Dihydro-5-hydroxy-7-methoxy-6-(3-methyl-2-buten-1-yl)-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one, CAS 55303-95-2, is a flavonoid-like benzopyranone. In practice, it is used as a synthetic intermediate for pharmaceutical synthesis and as a building block in medicinal-chemistry research. It is also evaluated as a fragrance ingredient or a cosmetic active scaffold in personal care products. In coatings, inks, and plastics, the compound may serve as a synthetic precursor or as a stabilizer/antioxidant additive to improve polymer durability. Additionally, it may be regarded as a fragrance component in household and cleaning products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.89
    methanol 3.22
    isopropanol 4.44
    water 0.0
    ethyl acetate 35.44
    n-propanol 6.07
    acetone 52.97
    n-butanol 5.65
    acetonitrile 23.37
    DMF 59.0
    toluene 10.79
    isobutanol 5.8
    1,4-dioxane 50.28
    methyl acetate 42.03
    THF 101.59
    2-butanone 46.61
    n-pentanol 6.59
    sec-butanol 5.96
    n-hexane 0.44
    ethylene glycol 1.82
    NMP 105.09
    cyclohexane 1.1
    DMSO 105.65
    n-butyl acetate 18.27
    n-octanol 4.83
    chloroform 153.45
    n-propyl acetate 21.78
    acetic acid 39.37
    dichloromethane 136.24
    cyclohexanone 68.61
    propylene glycol 2.2
    isopropyl acetate 19.5
    DMAc 132.51
    2-ethoxyethanol 18.65
    isopentanol 6.67
    n-heptane 0.5
    ethyl formate 19.57
    1,2-dichloroethane 77.75
    n-hexanol 6.07
    2-methoxyethanol 20.23
    isobutyl acetate 14.62
    tetrachloromethane 14.21
    n-pentyl acetate 15.54
    transcutol 32.27
    n-heptanol 4.86
    ethylbenzene 5.66
    MIBK 17.2
    2-propoxyethanol 25.99
    tert-butanol 8.99
    MTBE 10.71
    2-butoxyethanol 16.91
    propionic acid 17.63
    o-xylene 7.48
    formic acid 7.67
    diethyl ether 12.13
    m-xylene 6.45
    p-xylene 8.99
    chlorobenzene 25.61
    dimethyl carbonate 31.09
    n-octane 0.32
    formamide 14.25
    cyclopentanone 96.28
    2-pentanone 31.42
    anisole 15.2
    cyclopentyl methyl ether 25.19
    gamma-butyrolactone 106.7
    1-methoxy-2-propanol 17.02
    pyridine 49.9
    3-pentanone 34.23
    furfural 70.03
    n-dodecane 0.39
    diethylene glycol 18.06
    diisopropyl ether 3.45
    tert-amyl alcohol 8.77
    acetylacetone 57.34
    n-hexadecane 0.48
    acetophenone 25.77
    methyl propionate 37.42
    isopentyl acetate 18.9
    trichloroethylene 182.8
    n-nonanol 5.68
    cyclohexanol 10.43
    benzyl alcohol 15.19
    2-ethylhexanol 5.79
    isooctanol 5.03
    dipropyl ether 8.7
    1,2-dichlorobenzene 28.47
    ethyl lactate 13.89
    propylene carbonate 46.19
    n-methylformamide 19.66
    2-pentanol 4.15
    n-pentane 0.39
    1-propoxy-2-propanol 18.49
    1-methoxy-2-propyl acetate 29.35
    2-(2-methoxypropoxy) propanol 22.46
    mesitylene 3.59
    ε-caprolactone 54.37
    p-cymene 4.81
    epichlorohydrin 124.8
    1,1,1-trichloroethane 65.13
    2-aminoethanol 3.28
    morpholine-4-carbaldehyde 72.51
    sulfolane 135.57
    2,2,4-trimethylpentane 0.49
    2-methyltetrahydrofuran 41.42
    n-hexyl acetate 16.93
    isooctane 0.26
    2-(2-butoxyethoxy)ethanol 21.45
    sec-butyl acetate 14.21
    tert-butyl acetate 20.19
    decalin 0.89
    glycerin 6.51
    diglyme 47.46
    acrylic acid 21.3
    isopropyl myristate 7.8
    n-butyric acid 22.3
    acetyl acetate 40.25
    di(2-ethylhexyl) phthalate 12.21
    ethyl propionate 21.69
    nitromethane 104.11
    1,2-diethoxyethane 17.14
    benzonitrile 21.99
    trioctyl phosphate 7.89
    1-bromopropane 21.4
    gamma-valerolactone 105.82
    n-decanol 4.17
    triethyl phosphate 14.73
    4-methyl-2-pentanol 3.7
    propionitrile 19.1
    vinylene carbonate 45.28
    1,1,2-trichlorotrifluoroethane 89.9
    DMS 28.02
    cumene 4.08
    2-octanol 3.43
    2-hexanone 24.11
    octyl acetate 10.59
    limonene 6.21
    1,2-dimethoxyethane 40.35
    ethyl orthosilicate 12.2
    tributyl phosphate 9.97
    diacetone alcohol 24.65
    N,N-dimethylaniline 10.96
    acrylonitrile 29.01
    aniline 15.13
    1,3-propanediol 6.26
    bromobenzene 27.77
    dibromomethane 69.19
    1,1,2,2-tetrachloroethane 120.57
    2-methyl-cyclohexyl acetate 19.05
    tetrabutyl urea 14.32
    diisobutyl methanol 3.93
    2-phenylethanol 16.39
    styrene 6.5
    dioctyl adipate 16.18
    dimethyl sulfate 60.97
    ethyl butyrate 17.05
    methyl lactate 17.35
    butyl lactate 12.67
    diethyl carbonate 15.02
    propanediol butyl ether 10.61
    triethyl orthoformate 14.89
    p-tert-butyltoluene 4.09
    methyl 4-tert-butylbenzoate 23.71
    morpholine 46.95
    tert-butylamine 3.81
    n-dodecanol 3.13
    dimethoxymethane 41.64
    ethylene carbonate 36.93
    cyrene 35.02
    2-ethoxyethyl acetate 27.26
    2-ethylhexyl acetate 15.48
    1,2,4-trichlorobenzene 39.74
    4-methylpyridine 38.09
    dibutyl ether 6.79
    2,6-dimethyl-4-heptanol 3.93
    DEF 40.51
    dimethyl isosorbide 45.93
    tetrachloroethylene 71.44
    eugenol 21.14
    triacetin 29.67
    span 80 15.68
    1,4-butanediol 3.99
    1,1-dichloroethane 51.8
    2-methyl-1-pentanol 7.66
    methyl formate 24.18
    2-methyl-1-butanol 6.88
    n-decane 0.67
    butyronitrile 14.25
    3,7-dimethyl-1-octanol 5.97
    1-chlorooctane 4.01
    1-chlorotetradecane 1.87
    n-nonane 0.53
    undecane 0.49
    tert-butylcyclohexane 0.68
    cyclooctane 0.4
    cyclopentanol 15.16
    tetrahydropyran 32.35
    tert-amyl methyl ether 10.25
    2,5,8-trioxanonane 36.04
    1-hexene 2.36
    2-isopropoxyethanol 16.47
    2,2,2-trifluoroethanol 22.03
    methyl butyrate 25.94

    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