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

Overview IFRA Request a quote

  • Identifiers

    CAS number
    151171-29-8

    Molecular formula
    C24H28O7

    SMILES
    CC(=CCC1=C(C=C(C2=C1O[C@@H](CC2=O)C3=C(C=C(C=C3OC)OC)OC)O)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 56.58%
    Sweet 51.05%
    Woody 39.87%
    Herbal 37.84%
    Phenolic 35.53%
    Floral 30.31%
    Balsamic 30.15%
    Warm 27.73%
    Powdery 25.86%
    Clove 25.22%

     

    Flavor
    Bitter 80.49%
    Bland 23.14%
    Parsley 21.48%
    Cedarleaf 20.16%
    Lovage 19.64%
    Ripe apricot 18.75%
    Red fruit 18.55%
    Carrot 18.53%
    Heather 18.44%
    Eugenol 18.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    7.69 (neutral)

    Molecular weight
    428.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1024°C

    Flash point

    • 188.03 ˚C est.

  • Synonyms

    • (2S)-2,3-Dihydro-5-hydroxy-7-methoxy-8-(3-methyl-2-buten-1-yl)-2-(2,4,6-trimethoxyphenyl)-4H-1-benzopyran-4-one
    • 151171-29-8
    • RefChem:206876
    • 236AAL6NCL
    • CHEMBL466985
    • DTXSID501108193
    • (2S)-5-hydroxy-7-methoxy-8-(3-methylbut-2-en-1-yl)-2-(2,4,6-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
    • 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7-methoxy-8-(3-methyl-2-buten-1-yl)-2-(2,4,6-trimethoxyphenyl)-, (2S)-
    • 4H-1-Benzopyran-4-one, 2,3-dihydro-5-hydroxy-7-methoxy-8-(3-methyl-2-butenyl)-2-(2,4,6-trimethoxyphenyl)-, (S)-
    • 151171-29-8

  • Applications

    Compound: (2S)-2,3-Dihydro-5-hydroxy-7-methoxy-8-(3-methyl-2-buten-1-yl)-2-(2,4,6-trimethoxyphenyl)-4H-1-benzopyran-4-one (CAS 151171-29-8) is used primarily as an intermediate and building block in organic synthesis for pharmaceutical and agrochemical research; it is evaluated as a bioactive-scaffold candidate in medicinal chemistry studies and as a potential antioxidant in cosmetic and formulation studies. It may also serve as a fragrance material or fragrance precursor in perfumery, and as a stabilizer or specialty monomer in coatings, inks, and polymer formulations, with actual use governed by local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.91
    methanol 15.79
    isopropanol 12.87
    water 0.03
    ethyl acetate 66.22
    n-propanol 15.38
    acetone 146.42
    n-butanol 11.49
    acetonitrile 61.36
    DMF 222.03
    toluene 15.33
    isobutanol 13.56
    1,4-dioxane 101.16
    methyl acetate 96.16
    THF 216.75
    2-butanone 91.87
    n-pentanol 11.44
    sec-butanol 11.1
    n-hexane 0.51
    ethylene glycol 9.09
    NMP 276.04
    cyclohexane 1.21
    DMSO 305.34
    n-butyl acetate 27.65
    n-octanol 6.45
    chloroform 242.52
    n-propyl acetate 34.67
    acetic acid 119.5
    dichloromethane 204.85
    cyclohexanone 110.46
    propylene glycol 11.15
    isopropyl acetate 33.72
    DMAc 360.93
    2-ethoxyethanol 40.45
    isopentanol 11.44
    n-heptane 0.53
    ethyl formate 40.2
    1,2-dichloroethane 126.27
    n-hexanol 7.54
    2-methoxyethanol 63.89
    isobutyl acetate 25.11
    tetrachloromethane 21.55
    n-pentyl acetate 20.96
    transcutol 79.8
    n-heptanol 6.52
    ethylbenzene 7.18
    MIBK 29.01
    2-propoxyethanol 50.7
    tert-butanol 19.46
    MTBE 17.05
    2-butoxyethanol 29.42
    propionic acid 46.79
    o-xylene 10.05
    formic acid 32.66
    diethyl ether 18.77
    m-xylene 9.34
    p-xylene 12.32
    chlorobenzene 39.37
    dimethyl carbonate 78.1
    n-octane 0.3
    formamide 51.32
    cyclopentanone 187.15
    2-pentanone 55.06
    anisole 24.66
    cyclopentyl methyl ether 42.49
    gamma-butyrolactone 232.86
    1-methoxy-2-propanol 49.64
    pyridine 83.35
    3-pentanone 56.74
    furfural 143.21
    n-dodecane 0.44
    diethylene glycol 49.2
    diisopropyl ether 4.81
    tert-amyl alcohol 14.26
    acetylacetone 117.78
    n-hexadecane 0.54
    acetophenone 39.83
    methyl propionate 76.84
    isopentyl acetate 25.94
    trichloroethylene 304.7
    n-nonanol 7.26
    cyclohexanol 16.15
    benzyl alcohol 27.06
    2-ethylhexanol 7.07
    isooctanol 6.59
    dipropyl ether 12.19
    1,2-dichlorobenzene 44.02
    ethyl lactate 27.84
    propylene carbonate 91.24
    n-methylformamide 73.12
    2-pentanol 6.88
    n-pentane 0.48
    1-propoxy-2-propanol 33.68
    1-methoxy-2-propyl acetate 53.63
    2-(2-methoxypropoxy) propanol 41.47
    mesitylene 5.26
    ε-caprolactone 85.61
    p-cymene 6.22
    epichlorohydrin 238.41
    1,1,1-trichloroethane 114.58
    2-aminoethanol 13.66
    morpholine-4-carbaldehyde 168.59
    sulfolane 273.49
    2,2,4-trimethylpentane 0.54
    2-methyltetrahydrofuran 70.17
    n-hexyl acetate 23.57
    isooctane 0.33
    2-(2-butoxyethoxy)ethanol 42.0
    sec-butyl acetate 22.04
    tert-butyl acetate 34.0
    decalin 1.05
    glycerin 28.38
    diglyme 86.05
    acrylic acid 59.28
    isopropyl myristate 11.34
    n-butyric acid 48.38
    acetyl acetate 78.5
    di(2-ethylhexyl) phthalate 18.87
    ethyl propionate 34.18
    nitromethane 309.77
    1,2-diethoxyethane 28.39
    benzonitrile 36.35
    trioctyl phosphate 11.85
    1-bromopropane 29.33
    gamma-valerolactone 208.79
    n-decanol 5.55
    triethyl phosphate 23.76
    4-methyl-2-pentanol 5.82
    propionitrile 38.51
    vinylene carbonate 89.42
    1,1,2-trichlorotrifluoroethane 199.81
    DMS 49.62
    cumene 5.57
    2-octanol 4.04
    2-hexanone 35.08
    octyl acetate 15.38
    limonene 7.77
    1,2-dimethoxyethane 73.34
    ethyl orthosilicate 18.96
    tributyl phosphate 15.39
    diacetone alcohol 47.67
    N,N-dimethylaniline 18.54
    acrylonitrile 62.98
    aniline 26.93
    1,3-propanediol 20.77
    bromobenzene 41.12
    dibromomethane 103.09
    1,1,2,2-tetrachloroethane 207.89
    2-methyl-cyclohexyl acetate 28.07
    tetrabutyl urea 22.48
    diisobutyl methanol 5.31
    2-phenylethanol 23.31
    styrene 9.42
    dioctyl adipate 24.69
    dimethyl sulfate 151.68
    ethyl butyrate 27.03
    methyl lactate 51.73
    butyl lactate 21.66
    diethyl carbonate 25.4
    propanediol butyl ether 23.56
    triethyl orthoformate 22.89
    p-tert-butyltoluene 5.49
    methyl 4-tert-butylbenzoate 36.26
    morpholine 97.28
    tert-butylamine 7.06
    n-dodecanol 4.25
    dimethoxymethane 112.2
    ethylene carbonate 75.02
    cyrene 69.74
    2-ethoxyethyl acetate 43.34
    2-ethylhexyl acetate 21.4
    1,2,4-trichlorobenzene 64.43
    4-methylpyridine 63.27
    dibutyl ether 8.8
    2,6-dimethyl-4-heptanol 5.31
    DEF 73.81
    dimethyl isosorbide 83.79
    tetrachloroethylene 117.58
    eugenol 33.26
    triacetin 51.19
    span 80 29.56
    1,4-butanediol 11.46
    1,1-dichloroethane 97.94
    2-methyl-1-pentanol 11.35
    methyl formate 81.91
    2-methyl-1-butanol 11.49
    n-decane 0.67
    butyronitrile 26.34
    3,7-dimethyl-1-octanol 7.92
    1-chlorooctane 4.61
    1-chlorotetradecane 2.28
    n-nonane 0.52
    undecane 0.54
    tert-butylcyclohexane 0.86
    cyclooctane 0.41
    cyclopentanol 29.38
    tetrahydropyran 50.55
    tert-amyl methyl ether 14.28
    2,5,8-trioxanonane 69.25
    1-hexene 2.84
    2-isopropoxyethanol 31.66
    2,2,2-trifluoroethanol 68.68
    methyl butyrate 40.61

    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