(3R)-3,4-Dihydro-3-[4-hydroxy-2-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-2H-1-benzopyran-7-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    56257-28-4

    Molecular formula
    C21H24O4

    SMILES
    CC(=CCC1=C(C=CC(=C1OC)[C@H]2CC3=C(C=C(C=C3)O)OC2)O)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 59.9%
    Phenolic 53.43%
    Sweet 40.02%
    Smoky 35.66%
    Woody 28.9%
    Balsamic 27.19%
    Medicinal 25.82%
    Animal 25.69%
    Leathery 25.29%
    Vanilla 22.96%

     

    Flavor
    Bitter 73.63%
    Parsley 21.04%
    Herbal 20.74%
    Spice 20.68%
    Lovage 20.58%
    Cedarleaf 20.34%
    Thymol 19.54%
    Eugenol 19.49%
    Outdoor 18.94%
    Basil 18.82%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    10.18 (weak base)

    Molecular weight
    340.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    717°C

    Flash point

    • 202.41 ˚C est.

  • Synonyms

    • DTXSID101119021
    • (3R)-3,4-Dihydro-3-[4-hydroxy-2-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-2H-1-benzopyran-7-ol
    • (3R)-3-[4-Hydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3,4-dihydro-2H-1-benzopyran-7-ol
    • 56257-28-4
    • 56257-28-4

  • Applications

    Applications of (3R)-3,4-Dihydro-3-[4-hydroxy-2-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-2H-1-benzopyran-7-ol (CAS 56257-28-4) are typically considered in polyphenol-rich industrial contexts: as an antioxidant additive and stabilizer in cosmetic formulations; as a potential antioxidant or stabilizer in polymer formulations, coatings and inks; as a synthetic intermediate or research building block in pharmaceutical development for flavonoid-like compounds; and as a fragrance ingredient or odorant precursor in perfumery, with usage subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 16.57
    methanol 25.81
    isopropanol 29.9
    water 0.02
    ethyl acetate 70.38
    n-propanol 28.2
    acetone 94.09
    n-butanol 31.3
    acetonitrile 33.22
    DMF 81.44
    toluene 25.28
    isobutanol 23.21
    1,4-dioxane 159.06
    methyl acetate 68.25
    THF 359.52
    2-butanone 87.17
    n-pentanol 24.21
    sec-butanol 21.8
    n-hexane 0.42
    ethylene glycol 4.8
    NMP 38.55
    cyclohexane 1.54
    DMSO 161.66
    n-butyl acetate 35.38
    n-octanol 14.29
    chloroform 252.58
    n-propyl acetate 37.64
    acetic acid 46.9
    dichloromethane 180.83
    cyclohexanone 95.68
    propylene glycol 11.49
    isopropyl acetate 45.53
    DMAc 163.66
    2-ethoxyethanol 72.25
    isopentanol 31.24
    n-heptane 1.01
    ethyl formate 29.93
    1,2-dichloroethane 107.68
    n-hexanol 23.5
    2-methoxyethanol 98.17
    isobutyl acetate 30.98
    tetrachloromethane 10.51
    n-pentyl acetate 30.93
    transcutol 268.41
    n-heptanol 16.4
    ethylbenzene 10.67
    MIBK 44.66
    2-propoxyethanol 84.6
    tert-butanol 47.34
    MTBE 42.06
    2-butoxyethanol 49.3
    propionic acid 26.95
    o-xylene 13.47
    formic acid 11.72
    diethyl ether 42.38
    m-xylene 15.41
    p-xylene 14.08
    chlorobenzene 38.41
    dimethyl carbonate 44.57
    n-octane 0.75
    formamide 28.85
    cyclopentanone 117.03
    2-pentanone 64.8
    anisole 38.73
    cyclopentyl methyl ether 61.0
    gamma-butyrolactone 95.25
    1-methoxy-2-propanol 83.77
    pyridine 75.37
    3-pentanone 54.54
    furfural 88.42
    n-dodecane 0.97
    diethylene glycol 65.01
    diisopropyl ether 10.91
    tert-amyl alcohol 28.41
    acetylacetone 95.89
    n-hexadecane 1.17
    acetophenone 39.81
    methyl propionate 55.67
    isopentyl acetate 41.58
    trichloroethylene 229.47
    n-nonanol 15.78
    cyclohexanol 27.56
    benzyl alcohol 33.97
    2-ethylhexanol 16.03
    isooctanol 16.85
    dipropyl ether 23.43
    1,2-dichlorobenzene 37.23
    ethyl lactate 26.41
    propylene carbonate 42.21
    n-methylformamide 30.79
    2-pentanol 18.99
    n-pentane 0.47
    1-propoxy-2-propanol 56.62
    1-methoxy-2-propyl acetate 71.85
    2-(2-methoxypropoxy) propanol 56.76
    mesitylene 8.98
    ε-caprolactone 64.55
    p-cymene 9.61
    epichlorohydrin 204.07
    1,1,1-trichloroethane 74.41
    2-aminoethanol 12.45
    morpholine-4-carbaldehyde 104.28
    sulfolane 110.08
    2,2,4-trimethylpentane 1.0
    2-methyltetrahydrofuran 81.58
    n-hexyl acetate 37.44
    isooctane 0.87
    2-(2-butoxyethoxy)ethanol 80.22
    sec-butyl acetate 30.1
    tert-butyl acetate 52.49
    decalin 1.37
    glycerin 23.33
    diglyme 169.78
    acrylic acid 24.78
    isopropyl myristate 18.75
    n-butyric acid 46.32
    acetyl acetate 52.59
    di(2-ethylhexyl) phthalate 21.59
    ethyl propionate 35.54
    nitromethane 125.56
    1,2-diethoxyethane 78.48
    benzonitrile 33.68
    trioctyl phosphate 14.96
    1-bromopropane 30.41
    gamma-valerolactone 154.92
    n-decanol 12.06
    triethyl phosphate 22.94
    4-methyl-2-pentanol 16.11
    propionitrile 35.58
    vinylene carbonate 47.75
    1,1,2-trichlorotrifluoroethane 112.52
    DMS 48.07
    cumene 7.99
    2-octanol 11.05
    2-hexanone 40.77
    octyl acetate 21.74
    limonene 11.88
    1,2-dimethoxyethane 144.62
    ethyl orthosilicate 23.19
    tributyl phosphate 18.47
    diacetone alcohol 63.33
    N,N-dimethylaniline 23.21
    acrylonitrile 44.77
    aniline 35.0
    1,3-propanediol 34.37
    bromobenzene 40.46
    dibromomethane 80.22
    1,1,2,2-tetrachloroethane 160.93
    2-methyl-cyclohexyl acetate 33.72
    tetrabutyl urea 24.96
    diisobutyl methanol 13.0
    2-phenylethanol 36.46
    styrene 13.26
    dioctyl adipate 30.67
    dimethyl sulfate 62.15
    ethyl butyrate 30.63
    methyl lactate 34.19
    butyl lactate 28.46
    diethyl carbonate 25.34
    propanediol butyl ether 39.34
    triethyl orthoformate 30.42
    p-tert-butyltoluene 9.6
    methyl 4-tert-butylbenzoate 44.17
    morpholine 150.24
    tert-butylamine 17.89
    n-dodecanol 9.2
    dimethoxymethane 138.07
    ethylene carbonate 43.62
    cyrene 54.73
    2-ethoxyethyl acetate 63.88
    2-ethylhexyl acetate 30.57
    1,2,4-trichlorobenzene 47.02
    4-methylpyridine 60.87
    dibutyl ether 21.59
    2,6-dimethyl-4-heptanol 13.0
    DEF 50.88
    dimethyl isosorbide 100.26
    tetrachloroethylene 79.08
    eugenol 43.55
    triacetin 57.22
    span 80 37.83
    1,4-butanediol 13.47
    1,1-dichloroethane 87.58
    2-methyl-1-pentanol 23.97
    methyl formate 32.44
    2-methyl-1-butanol 24.1
    n-decane 1.73
    butyronitrile 29.13
    3,7-dimethyl-1-octanol 17.91
    1-chlorooctane 9.19
    1-chlorotetradecane 3.95
    n-nonane 1.33
    undecane 1.24
    tert-butylcyclohexane 1.31
    cyclooctane 0.67
    cyclopentanol 27.37
    tetrahydropyran 98.83
    tert-amyl methyl ether 26.16
    2,5,8-trioxanonane 117.16
    1-hexene 3.08
    2-isopropoxyethanol 54.65
    2,2,2-trifluoroethanol 18.49
    methyl butyrate 41.65

    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