(2S)-2,3-Dihydro-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-2-(2,4,6-trimethoxyphenyl)-4H-1-benzopyran-4-one

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  • Identifiers

    CAS number
    156127-36-5

    Molecular formula
    C23H26O7

    SMILES
    CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=C(C=C(C=C3OC)OC)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 53.02%
    Sweet 49.52%
    Phenolic 41.08%
    Woody 38.55%
    Herbal 30.57%
    Balsamic 30.11%
    Smoky 26.75%
    Vanilla 25.61%
    Warm 25.49%
    Clove 24.24%

     

    Flavor
    Bitter 85.52%
    Bland 24.1%
    Parsley 20.92%
    Cedarleaf 20.26%
    Lovage 19.65%
    Ripe apricot 18.49%
    Sweet-like 18.37%
    Red fruit 18.34%
    Heather 18.19%
    Carrot 18.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.6

    pKa est.
    8.53 (weak base)

    Molecular weight
    414.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1354°C

    Flash point

    • 203.98 ˚C est.

  • Synonyms

    • (2S)-2,3-Dihydro-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-2-(2,4,6-trimethoxyphenyl)-4H-1-benzopyran-4-one
    • 156127-36-5
    • RefChem:68918
    • (2S)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2-(2,4,6-trimethoxyphenyl)-2,3-dihydrochromen-4-one
    • DTXSID101110679
    • 156127-36-5

  • Applications

    (2S)-2,3-Dihydro-5,7-dihydroxy-8-(3-methyl-2-buten-1-yl)-2-(2,4,6-trimethoxyphenyl)-4H-1-benzopyran-4-one (CAS 156127-36-5) has a range of practical applications across industries, including cosmetics/personal care as an antioxidant and UV-absorbing polyphenol; fragrance industry as a fragrance component or intermediate with an isoprenyl-phenyl motif; pharmaceutical and medicinal chemistry as an intermediate for flavonoid-like compounds; coatings and inks as a pigment precursor or functional additive; and polymer formulations as a stabilizer or antioxidant additive; all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.06
    methanol 19.21
    isopropanol 9.91
    water 0.04
    ethyl acetate 39.76
    n-propanol 12.56
    acetone 136.79
    n-butanol 8.79
    acetonitrile 46.81
    DMF 263.99
    toluene 6.43
    isobutanol 10.27
    1,4-dioxane 82.08
    methyl acetate 68.44
    THF 209.83
    2-butanone 69.87
    n-pentanol 9.46
    sec-butanol 7.63
    n-hexane 0.19
    ethylene glycol 11.69
    NMP 251.26
    cyclohexane 0.42
    DMSO 477.91
    n-butyl acetate 18.11
    n-octanol 5.65
    chloroform 97.85
    n-propyl acetate 25.97
    acetic acid 102.83
    dichloromethane 88.63
    cyclohexanone 81.41
    propylene glycol 16.4
    isopropyl acetate 21.06
    DMAc 372.29
    2-ethoxyethanol 45.04
    isopentanol 8.15
    n-heptane 0.23
    ethyl formate 30.62
    1,2-dichloroethane 59.57
    n-hexanol 4.91
    2-methoxyethanol 79.71
    isobutyl acetate 17.74
    tetrachloromethane 7.3
    n-pentyl acetate 14.35
    transcutol 87.0
    n-heptanol 5.12
    ethylbenzene 3.26
    MIBK 20.34
    2-propoxyethanol 49.45
    tert-butanol 15.78
    MTBE 9.12
    2-butoxyethanol 25.86
    propionic acid 37.05
    o-xylene 4.46
    formic acid 38.98
    diethyl ether 8.87
    m-xylene 4.23
    p-xylene 6.27
    chlorobenzene 17.63
    dimethyl carbonate 63.2
    n-octane 0.15
    formamide 63.64
    cyclopentanone 167.97
    2-pentanone 37.55
    anisole 15.5
    cyclopentyl methyl ether 26.31
    gamma-butyrolactone 211.82
    1-methoxy-2-propanol 58.41
    pyridine 54.72
    3-pentanone 36.03
    furfural 113.79
    n-dodecane 0.26
    diethylene glycol 57.45
    diisopropyl ether 2.19
    tert-amyl alcohol 10.27
    acetylacetone 94.4
    n-hexadecane 0.31
    acetophenone 28.89
    methyl propionate 57.23
    isopentyl acetate 16.57
    trichloroethylene 155.81
    n-nonanol 6.08
    cyclohexanol 10.5
    benzyl alcohol 20.74
    2-ethylhexanol 4.47
    isooctanol 5.02
    dipropyl ether 7.39
    1,2-dichlorobenzene 19.54
    ethyl lactate 25.32
    propylene carbonate 67.68
    n-methylformamide 87.19
    2-pentanol 4.53
    n-pentane 0.16
    1-propoxy-2-propanol 31.64
    1-methoxy-2-propyl acetate 42.4
    2-(2-methoxypropoxy) propanol 37.98
    mesitylene 2.49
    ε-caprolactone 63.66
    p-cymene 3.32
    epichlorohydrin 199.79
    1,1,1-trichloroethane 45.25
    2-aminoethanol 16.98
    morpholine-4-carbaldehyde 161.55
    sulfolane 275.66
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 45.34
    n-hexyl acetate 16.95
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 42.12
    sec-butyl acetate 14.13
    tert-butyl acetate 23.58
    decalin 0.41
    glycerin 43.3
    diglyme 82.73
    acrylic acid 50.36
    isopropyl myristate 7.87
    n-butyric acid 34.86
    acetyl acetate 46.78
    di(2-ethylhexyl) phthalate 14.02
    ethyl propionate 23.66
    nitromethane 307.85
    1,2-diethoxyethane 23.52
    benzonitrile 25.42
    trioctyl phosphate 9.08
    1-bromopropane 11.67
    gamma-valerolactone 197.18
    n-decanol 4.58
    triethyl phosphate 15.67
    4-methyl-2-pentanol 3.88
    propionitrile 28.21
    vinylene carbonate 63.67
    1,1,2-trichlorotrifluoroethane 165.42
    DMS 36.85
    cumene 2.72
    2-octanol 3.19
    2-hexanone 27.57
    octyl acetate 10.85
    limonene 3.96
    1,2-dimethoxyethane 74.04
    ethyl orthosilicate 12.35
    tributyl phosphate 11.68
    diacetone alcohol 43.16
    N,N-dimethylaniline 12.3
    acrylonitrile 51.12
    aniline 15.09
    1,3-propanediol 23.79
    bromobenzene 16.61
    dibromomethane 38.9
    1,1,2,2-tetrachloroethane 109.19
    2-methyl-cyclohexyl acetate 18.91
    tetrabutyl urea 17.69
    diisobutyl methanol 3.51
    2-phenylethanol 16.61
    styrene 4.41
    dioctyl adipate 18.1
    dimethyl sulfate 130.67
    ethyl butyrate 17.96
    methyl lactate 53.1
    butyl lactate 18.68
    diethyl carbonate 15.94
    propanediol butyl ether 27.4
    triethyl orthoformate 15.55
    p-tert-butyltoluene 3.02
    methyl 4-tert-butylbenzoate 27.78
    morpholine 85.1
    tert-butylamine 4.14
    n-dodecanol 3.43
    dimethoxymethane 115.62
    ethylene carbonate 51.76
    cyrene 65.65
    2-ethoxyethyl acetate 32.59
    2-ethylhexyl acetate 12.98
    1,2,4-trichlorobenzene 32.82
    4-methylpyridine 41.26
    dibutyl ether 6.09
    2,6-dimethyl-4-heptanol 3.51
    DEF 55.7
    dimethyl isosorbide 76.8
    tetrachloroethylene 54.66
    eugenol 27.81
    triacetin 40.45
    span 80 27.8
    1,4-butanediol 13.66
    1,1-dichloroethane 42.16
    2-methyl-1-pentanol 8.37
    methyl formate 95.13
    2-methyl-1-butanol 7.97
    n-decane 0.38
    butyronitrile 17.61
    3,7-dimethyl-1-octanol 6.08
    1-chlorooctane 2.59
    1-chlorotetradecane 1.33
    n-nonane 0.28
    undecane 0.31
    tert-butylcyclohexane 0.36
    cyclooctane 0.16
    cyclopentanol 20.95
    tetrahydropyran 29.45
    tert-amyl methyl ether 7.56
    2,5,8-trioxanonane 66.86
    1-hexene 1.23
    2-isopropoxyethanol 32.09
    2,2,2-trifluoroethanol 54.04
    methyl butyrate 30.42

    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