2H,8H-Benzo[1,2-b:3,4-ba(2)]dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-5-methoxy-8,8-dimethyl-, (9R,10S)-rel-

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  • Identifiers

    CAS number
    119239-48-4

    Molecular formula
    C15H16O6

    SMILES
    CC1([C@@H]([C@H](C2=C3C(=C(C=C2O1)OC)C=CC(=O)O3)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 61.93%
    Vanilla 48.1%
    Creamy 35.85%
    Phenolic 35.19%
    Odorless 32.52%
    Powdery 31.52%
    Caramellic 30.57%
    Milky 26.02%
    Burnt 25.37%
    Coumarinic 23.63%

     

    Flavor
    Bitter 84.17%
    Bland 23.28%
    Sweet-like 21.13%
    Parsley 20.55%
    Eugenol 20.3%
    Cedarleaf 20.24%
    Ripe apricot 19.4%
    Red fruit 19.4%
    Naphthalic 19.38%
    Odorless 19.38%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.89 (neutral)

    Molecular weight
    292.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    670°C

    Flash point

    • 216.89 ˚C est.

  • Synonyms

    • DTXSID701110172
    • 119239-48-4
    • 2H,8H-Benzo[1,2-b:3,4-ba(2)]dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-5-methoxy-8,8-dimethyl-, (9R,10S)-rel-
    • 119239-48-4

  • Applications

    The compound 2H,8H-Benzo[1,2-b:3,4-ba(2)]dipyran-2-one, 9,10-dihydro-9,10-dihydroxy-5-methoxy-8,8-dimethyl-, (9R,10S)-rel- (CAS 119239-48-4) is used primarily as an organic synthesis intermediate, providing a polycyclic lactone framework that can serve as a building block for pharmaceutical and agrochemical scaffolds. It may also function as a fragrance intermediate or odorant precursor in perfumery, and could be employed in cosmetic and personal care formulations where aromatic or chiral lactone motifs are valued. In polymer and materials research, it serves as a niche building block for specialty polymers and resin systems, and it is used as a research reagent in medicinal chemistry and SAR studies to explore structure-activity relationships.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.91
    methanol 35.1
    isopropanol 9.45
    water 0.45
    ethyl acetate 19.41
    n-propanol 11.63
    acetone 24.6
    n-butanol 9.19
    acetonitrile 14.8
    DMF 247.46
    toluene 2.16
    isobutanol 9.05
    1,4-dioxane 34.8
    methyl acetate 26.16
    THF 93.03
    2-butanone 23.54
    n-pentanol 5.95
    sec-butanol 7.22
    n-hexane 0.15
    ethylene glycol 30.53
    NMP 255.34
    cyclohexane 0.39
    DMSO 243.13
    n-butyl acetate 16.56
    n-octanol 4.5
    chloroform 19.23
    n-propyl acetate 16.67
    acetic acid 107.42
    dichloromethane 21.62
    cyclohexanone 50.02
    propylene glycol 19.58
    isopropyl acetate 13.0
    DMAc 256.31
    2-ethoxyethanol 45.71
    isopentanol 11.22
    n-heptane 0.26
    ethyl formate 25.15
    1,2-dichloroethane 18.23
    n-hexanol 7.31
    2-methoxyethanol 122.77
    isobutyl acetate 11.23
    tetrachloromethane 2.82
    n-pentyl acetate 11.06
    transcutol 112.93
    n-heptanol 6.1
    ethylbenzene 1.64
    MIBK 14.18
    2-propoxyethanol 58.69
    tert-butanol 13.9
    MTBE 5.74
    2-butoxyethanol 30.13
    propionic acid 35.02
    o-xylene 3.03
    formic acid 132.89
    diethyl ether 5.41
    m-xylene 2.86
    p-xylene 2.73
    chlorobenzene 4.74
    dimethyl carbonate 46.74
    n-octane 0.14
    formamide 161.73
    cyclopentanone 80.84
    2-pentanone 17.67
    anisole 8.92
    cyclopentyl methyl ether 21.51
    gamma-butyrolactone 135.94
    1-methoxy-2-propanol 71.82
    pyridine 23.25
    3-pentanone 15.67
    furfural 98.04
    n-dodecane 0.19
    diethylene glycol 86.74
    diisopropyl ether 1.97
    tert-amyl alcohol 10.9
    acetylacetone 36.0
    n-hexadecane 0.23
    acetophenone 20.05
    methyl propionate 34.34
    isopentyl acetate 16.05
    trichloroethylene 42.38
    n-nonanol 4.97
    cyclohexanol 12.45
    benzyl alcohol 15.67
    2-ethylhexanol 5.81
    isooctanol 5.76
    dipropyl ether 5.9
    1,2-dichlorobenzene 7.96
    ethyl lactate 26.12
    propylene carbonate 62.37
    n-methylformamide 106.73
    2-pentanol 5.06
    n-pentane 0.16
    1-propoxy-2-propanol 34.28
    1-methoxy-2-propyl acetate 37.05
    2-(2-methoxypropoxy) propanol 35.29
    mesitylene 2.06
    ε-caprolactone 55.94
    p-cymene 3.31
    epichlorohydrin 94.7
    1,1,1-trichloroethane 9.27
    2-aminoethanol 27.56
    morpholine-4-carbaldehyde 193.45
    sulfolane 188.33
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 30.82
    n-hexyl acetate 12.92
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 39.46
    sec-butyl acetate 10.02
    tert-butyl acetate 16.78
    decalin 0.38
    glycerin 81.92
    diglyme 79.47
    acrylic acid 54.08
    isopropyl myristate 5.87
    n-butyric acid 35.25
    acetyl acetate 20.59
    di(2-ethylhexyl) phthalate 11.5
    ethyl propionate 16.47
    nitromethane 172.7
    1,2-diethoxyethane 16.36
    benzonitrile 14.23
    trioctyl phosphate 8.34
    1-bromopropane 4.12
    gamma-valerolactone 149.09
    n-decanol 3.76
    triethyl phosphate 15.11
    4-methyl-2-pentanol 5.24
    propionitrile 13.17
    vinylene carbonate 61.01
    1,1,2-trichlorotrifluoroethane 119.91
    DMS 29.2
    cumene 1.82
    2-octanol 3.34
    2-hexanone 12.65
    octyl acetate 8.06
    limonene 4.49
    1,2-dimethoxyethane 65.43
    ethyl orthosilicate 12.63
    tributyl phosphate 9.99
    diacetone alcohol 37.87
    N,N-dimethylaniline 10.01
    acrylonitrile 27.48
    aniline 9.99
    1,3-propanediol 40.13
    bromobenzene 3.53
    dibromomethane 9.07
    1,1,2,2-tetrachloroethane 34.01
    2-methyl-cyclohexyl acetate 16.24
    tetrabutyl urea 15.69
    diisobutyl methanol 4.26
    2-phenylethanol 16.72
    styrene 1.63
    dioctyl adipate 12.87
    dimethyl sulfate 95.92
    ethyl butyrate 14.7
    methyl lactate 57.67
    butyl lactate 18.15
    diethyl carbonate 13.72
    propanediol butyl ether 26.55
    triethyl orthoformate 14.34
    p-tert-butyltoluene 3.12
    methyl 4-tert-butylbenzoate 24.35
    morpholine 57.27
    tert-butylamine 4.4
    n-dodecanol 2.84
    dimethoxymethane 86.35
    ethylene carbonate 49.57
    cyrene 54.09
    2-ethoxyethyl acetate 23.66
    2-ethylhexyl acetate 12.43
    1,2,4-trichlorobenzene 13.44
    4-methylpyridine 22.65
    dibutyl ether 3.79
    2,6-dimethyl-4-heptanol 4.26
    DEF 48.94
    dimethyl isosorbide 62.0
    tetrachloroethylene 23.39
    eugenol 26.13
    triacetin 26.99
    span 80 23.63
    1,4-butanediol 13.3
    1,1-dichloroethane 8.66
    2-methyl-1-pentanol 7.21
    methyl formate 90.2
    2-methyl-1-butanol 9.31
    n-decane 0.28
    butyronitrile 10.66
    3,7-dimethyl-1-octanol 5.53
    1-chlorooctane 1.56
    1-chlorotetradecane 0.83
    n-nonane 0.2
    undecane 0.23
    tert-butylcyclohexane 0.32
    cyclooctane 0.17
    cyclopentanol 19.98
    tetrahydropyran 15.59
    tert-amyl methyl ether 6.61
    2,5,8-trioxanonane 59.06
    1-hexene 0.69
    2-isopropoxyethanol 26.86
    2,2,2-trifluoroethanol 64.47
    methyl butyrate 23.47

    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