8-[(3R)-5-Methoxy-8,8-dimethyl-3,4,7,8-tetrahydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl]-2,2-dimethyl-2H-1-benzopyran-5-ol

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  • Identifiers

    CAS number
    152511-47-2

    Molecular formula
    C26H30O5

    SMILES
    CC1(CCC2=C(C3=C(C=C2O1)OC[C@H](C3)C4=C5C(=C(C=C4)O)C=CC(O5)(C)C)OC)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 44.03%
    Spicy 42.32%
    Phenolic 41.1%
    Woody 29.62%
    Powdery 29.21%
    Musk 25.48%
    Animal 24.8%
    Vanilla 24.4%
    Balsamic 23.94%
    Smoky 23.42%

     

    Flavor
    Bitter 83.47%
    Parsley 20.93%
    Cedarleaf 20.8%
    Ripe apricot 20.05%
    Red fruit 19.54%
    Lovage 19.31%
    Eugenol 19.19%
    Carrot 18.7%
    Indole 18.63%
    Very strong 18.47%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    7.67 (neutral)

    Molecular weight
    422.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    789°C

    Flash point

    • 208.29 ˚C est.

  • Synonyms

    • DTXSID401318468
    • 152511-47-2
    • 8-[(3R)-5-Methoxy-8,8-dimethyl-3,4,7,8-tetrahydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl]-2,2-dimethyl-2H-1-benzopyran-5-ol
    • 152511-47-2

  • Applications

    8-[(3R)-5-Methoxy-8,8-dimethyl-3,4,7,8-tetrahydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl]-2,2-dimethyl-2H-1-benzopyran-5-ol (CAS 152511-47-2) is a complex polycyclic compound that can serve as a versatile intermediate for organic synthesis, particularly for accessing advanced polycyclic architectures used in pharmaceutical and materials research. Its combination of functional groups and stereochemistry makes it a potential chiral building block or precursor for stereoselective routes in drug discovery and related agrochemical investigations. The rigid chromene/dipyran skeleton may also be evaluated as a fragrance/odorant component in perfumery research, or as a reference material for analytical method development and quality control in chemical manufacturing. Additionally, it could be explored in specialty materials applications, for example as a building block or additive in coatings or polymer systems, depending on formulation constraints and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.23
    methanol 10.32
    isopropanol 7.57
    water 0.01
    ethyl acetate 43.81
    n-propanol 14.56
    acetone 42.58
    n-butanol 13.75
    acetonitrile 23.88
    DMF 56.72
    toluene 30.68
    isobutanol 12.44
    1,4-dioxane 77.18
    methyl acetate 44.81
    THF 139.47
    2-butanone 56.61
    n-pentanol 16.11
    sec-butanol 8.21
    n-hexane 0.62
    ethylene glycol 2.28
    NMP 80.82
    cyclohexane 1.65
    DMSO 65.98
    n-butyl acetate 43.1
    n-octanol 13.73
    chloroform 296.15
    n-propyl acetate 42.96
    acetic acid 35.0
    dichloromethane 197.6
    cyclohexanone 89.23
    propylene glycol 3.3
    isopropyl acetate 28.99
    DMAc 122.0
    2-ethoxyethanol 40.43
    isopentanol 15.37
    n-heptane 0.84
    ethyl formate 33.99
    1,2-dichloroethane 93.0
    n-hexanol 16.63
    2-methoxyethanol 38.71
    isobutyl acetate 37.77
    tetrachloromethane 15.99
    n-pentyl acetate 40.15
    transcutol 107.2
    n-heptanol 13.23
    ethylbenzene 12.41
    MIBK 29.78
    2-propoxyethanol 63.63
    tert-butanol 8.46
    MTBE 12.97
    2-butoxyethanol 42.37
    propionic acid 20.71
    o-xylene 13.43
    formic acid 9.9
    diethyl ether 18.12
    m-xylene 15.7
    p-xylene 18.31
    chlorobenzene 59.46
    dimethyl carbonate 34.47
    n-octane 0.5
    formamide 15.26
    cyclopentanone 101.42
    2-pentanone 41.65
    anisole 34.3
    cyclopentyl methyl ether 41.67
    gamma-butyrolactone 104.37
    1-methoxy-2-propanol 29.18
    pyridine 88.49
    3-pentanone 42.23
    furfural 97.7
    n-dodecane 0.81
    diethylene glycol 36.3
    diisopropyl ether 5.89
    tert-amyl alcohol 8.91
    acetylacetone 51.69
    n-hexadecane 0.99
    acetophenone 43.92
    methyl propionate 46.83
    isopentyl acetate 43.31
    trichloroethylene 240.67
    n-nonanol 15.05
    cyclohexanol 16.65
    benzyl alcohol 33.15
    2-ethylhexanol 14.88
    isooctanol 12.87
    dipropyl ether 17.9
    1,2-dichlorobenzene 54.97
    ethyl lactate 24.63
    propylene carbonate 55.98
    n-methylformamide 26.29
    2-pentanol 7.23
    n-pentane 0.58
    1-propoxy-2-propanol 39.14
    1-methoxy-2-propyl acetate 57.69
    2-(2-methoxypropoxy) propanol 44.3
    mesitylene 7.74
    ε-caprolactone 80.79
    p-cymene 10.47
    epichlorohydrin 154.26
    1,1,1-trichloroethane 68.57
    2-aminoethanol 6.17
    morpholine-4-carbaldehyde 101.5
    sulfolane 102.98
    2,2,4-trimethylpentane 0.64
    2-methyltetrahydrofuran 60.09
    n-hexyl acetate 45.7
    isooctane 0.46
    2-(2-butoxyethoxy)ethanol 55.18
    sec-butyl acetate 29.71
    tert-butyl acetate 26.94
    decalin 1.46
    glycerin 7.8
    diglyme 104.03
    acrylic acid 21.05
    isopropyl myristate 19.85
    n-butyric acid 35.85
    acetyl acetate 37.22
    di(2-ethylhexyl) phthalate 27.41
    ethyl propionate 37.32
    nitromethane 78.58
    1,2-diethoxyethane 44.69
    benzonitrile 46.08
    trioctyl phosphate 18.4
    1-bromopropane 36.17
    gamma-valerolactone 144.25
    n-decanol 10.88
    triethyl phosphate 25.68
    4-methyl-2-pentanol 7.28
    propionitrile 29.61
    vinylene carbonate 69.84
    1,1,2-trichlorotrifluoroethane 103.7
    DMS 45.57
    cumene 8.97
    2-octanol 8.01
    2-hexanone 43.29
    octyl acetate 26.08
    limonene 11.17
    1,2-dimethoxyethane 74.06
    ethyl orthosilicate 24.2
    tributyl phosphate 22.5
    diacetone alcohol 28.9
    N,N-dimethylaniline 21.82
    acrylonitrile 38.99
    aniline 33.62
    1,3-propanediol 13.87
    bromobenzene 66.51
    dibromomethane 109.43
    1,1,2,2-tetrachloroethane 169.07
    2-methyl-cyclohexyl acetate 38.03
    tetrabutyl urea 28.51
    diisobutyl methanol 7.82
    2-phenylethanol 37.83
    styrene 16.17
    dioctyl adipate 33.69
    dimethyl sulfate 48.21
    ethyl butyrate 35.21
    methyl lactate 21.97
    butyl lactate 30.22
    diethyl carbonate 29.42
    propanediol butyl ether 26.37
    triethyl orthoformate 33.98
    p-tert-butyltoluene 8.32
    methyl 4-tert-butylbenzoate 39.62
    morpholine 75.89
    tert-butylamine 4.23
    n-dodecanol 8.03
    dimethoxymethane 61.24
    ethylene carbonate 61.96
    cyrene 53.15
    2-ethoxyethyl acetate 62.6
    2-ethylhexyl acetate 38.31
    1,2,4-trichlorobenzene 69.71
    4-methylpyridine 72.73
    dibutyl ether 16.59
    2,6-dimethyl-4-heptanol 7.82
    DEF 45.75
    dimethyl isosorbide 85.1
    tetrachloroethylene 93.12
    eugenol 39.9
    triacetin 50.94
    span 80 33.99
    1,4-butanediol 7.66
    1,1-dichloroethane 71.93
    2-methyl-1-pentanol 17.09
    methyl formate 28.24
    2-methyl-1-butanol 14.11
    n-decane 1.41
    butyronitrile 28.45
    3,7-dimethyl-1-octanol 14.95
    1-chlorooctane 9.42
    1-chlorotetradecane 3.97
    n-nonane 1.03
    undecane 1.04
    tert-butylcyclohexane 1.2
    cyclooctane 0.7
    cyclopentanol 18.27
    tetrahydropyran 57.39
    tert-amyl methyl ether 12.01
    2,5,8-trioxanonane 75.5
    1-hexene 4.29
    2-isopropoxyethanol 34.26
    2,2,2-trifluoroethanol 14.19
    methyl butyrate 45.06

    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