2H,8H-Benzo[1,2-b:3,4-ba(2)]dipyran-2-one, 10-[(8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-ba(2)]dipyran-5-yl)oxy]-9,10-dihydro-9-hydroxy-8,8-dimethyl-, cis-(+)-

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  • Identifiers

    CAS number
    175923-64-5

    Molecular formula
    C28H24O8

    SMILES
    CC1(C=CC2=C3C(=C(C=C2O1)O[C@@H]4[C@@H](C(OC5=C4C6=C(C=C5)C=CC(=O)O6)(C)C)O)C=CC(=O)O3)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 45.69%
    Vanilla 32.47%
    Powdery 31.75%
    Coumarinic 29.21%
    Fruity 27.92%
    Creamy 27.85%
    Phenolic 27.61%
    Odorless 25.42%
    Coconut 24.65%
    Floral 23.43%

     

    Flavor
    Bitter 95.34%
    Bland 19.78%
    Cedarleaf 19.5%
    Parsley 19.17%
    Sweet-like 18.79%
    Ripe apricot 18.28%
    Lovage 18.27%
    Red fruit 18.11%
    Eugenol 17.44%
    Naphthalic 17.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    6.76 (neutral)

    Molecular weight
    488.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1179°C

    Flash point

    • 268.46 ˚C est.

  • Synonyms

    • DTXSID001100075
    • 175923-64-5
    • 2H,8H-Benzo[1,2-b:3,4-ba(2)]dipyran-2-one, 10-[(8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-ba(2)]dipyran-5-yl)oxy]-9,10-dihydro-9-hydroxy-8,8-dimethyl-, cis-(+)-
    • 175923-64-5

  • Applications

    2H,8H-Benzo[1,2-b:3,4-ba(2)]dipyran-2-one, 10-[(8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-ba(2)]dipyran-5-yl)oxy]-9,10-dihydro-9-hydroxy-8,8-dimethyl-, cis-(+)- (CAS number: 175923-64-5) is typically used as a chiral building block and synthetic intermediate in pharmaceutical and fine chemical development; it is commonly evaluated as a scaffold or ligand in asymmetric catalysis, and as a precursor for chromophores in dye chemistry and potential organic electronic applications; it may also find use as a specialty intermediate in coatings and inks, and as a stereochemically defined scaffold for synthesis of natural product analogs in research settings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.53
    methanol 11.39
    isopropanol 2.92
    water 0.05
    ethyl acetate 15.77
    n-propanol 5.28
    acetone 33.74
    n-butanol 2.98
    acetonitrile 16.04
    DMF 130.46
    toluene 3.58
    isobutanol 3.17
    1,4-dioxane 36.81
    methyl acetate 30.9
    THF 75.08
    2-butanone 26.45
    n-pentanol 2.85
    sec-butanol 2.72
    n-hexane 0.1
    ethylene glycol 6.55
    NMP 142.57
    cyclohexane 0.18
    DMSO 113.77
    n-butyl acetate 9.27
    n-octanol 2.09
    chloroform 65.32
    n-propyl acetate 13.13
    acetic acid 77.0
    dichloromethane 55.63
    cyclohexanone 35.63
    propylene glycol 5.88
    isopropyl acetate 8.17
    DMAc 158.41
    2-ethoxyethanol 21.16
    isopentanol 2.54
    n-heptane 0.14
    ethyl formate 17.22
    1,2-dichloroethane 26.22
    n-hexanol 1.62
    2-methoxyethanol 38.94
    isobutyl acetate 8.14
    tetrachloromethane 2.48
    n-pentyl acetate 8.39
    transcutol 61.56
    n-heptanol 2.1
    ethylbenzene 1.43
    MIBK 7.03
    2-propoxyethanol 26.56
    tert-butanol 2.81
    MTBE 2.63
    2-butoxyethanol 14.61
    propionic acid 24.13
    o-xylene 1.91
    formic acid 36.58
    diethyl ether 4.08
    m-xylene 1.7
    p-xylene 2.5
    chlorobenzene 8.57
    dimethyl carbonate 38.66
    n-octane 0.09
    formamide 44.09
    cyclopentanone 71.11
    2-pentanone 12.52
    anisole 7.56
    cyclopentyl methyl ether 11.76
    gamma-butyrolactone 111.46
    1-methoxy-2-propanol 24.25
    pyridine 38.41
    3-pentanone 13.27
    furfural 71.5
    n-dodecane 0.13
    diethylene glycol 28.4
    diisopropyl ether 0.95
    tert-amyl alcohol 2.48
    acetylacetone 30.33
    n-hexadecane 0.16
    acetophenone 14.49
    methyl propionate 28.55
    isopentyl acetate 8.38
    trichloroethylene 90.08
    n-nonanol 2.44
    cyclohexanol 3.36
    benzyl alcohol 9.45
    2-ethylhexanol 1.67
    isooctanol 2.03
    dipropyl ether 4.18
    1,2-dichlorobenzene 8.55
    ethyl lactate 13.24
    propylene carbonate 34.25
    n-methylformamide 53.61
    2-pentanol 1.59
    n-pentane 0.1
    1-propoxy-2-propanol 16.52
    1-methoxy-2-propyl acetate 21.63
    2-(2-methoxypropoxy) propanol 20.23
    mesitylene 0.89
    ε-caprolactone 36.13
    p-cymene 1.31
    epichlorohydrin 102.2
    1,1,1-trichloroethane 14.37
    2-aminoethanol 8.14
    morpholine-4-carbaldehyde 127.05
    sulfolane 139.99
    2,2,4-trimethylpentane 0.07
    2-methyltetrahydrofuran 18.55
    n-hexyl acetate 8.43
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 22.66
    sec-butyl acetate 6.96
    tert-butyl acetate 7.69
    decalin 0.15
    glycerin 17.82
    diglyme 46.79
    acrylic acid 40.27
    isopropyl myristate 3.81
    n-butyric acid 17.26
    acetyl acetate 17.72
    di(2-ethylhexyl) phthalate 6.77
    ethyl propionate 12.33
    nitromethane 154.53
    1,2-diethoxyethane 13.48
    benzonitrile 12.02
    trioctyl phosphate 4.15
    1-bromopropane 5.66
    gamma-valerolactone 136.44
    n-decanol 1.85
    triethyl phosphate 7.62
    4-methyl-2-pentanol 1.22
    propionitrile 11.53
    vinylene carbonate 45.75
    1,1,2-trichlorotrifluoroethane 88.0
    DMS 21.42
    cumene 1.02
    2-octanol 1.3
    2-hexanone 10.95
    octyl acetate 5.38
    limonene 1.57
    1,2-dimethoxyethane 38.7
    ethyl orthosilicate 6.17
    tributyl phosphate 5.25
    diacetone alcohol 13.83
    N,N-dimethylaniline 5.62
    acrylonitrile 27.07
    aniline 8.35
    1,3-propanediol 9.86
    bromobenzene 7.59
    dibromomethane 21.78
    1,1,2,2-tetrachloroethane 55.83
    2-methyl-cyclohexyl acetate 8.5
    tetrabutyl urea 8.86
    diisobutyl methanol 1.31
    2-phenylethanol 7.58
    styrene 2.2
    dioctyl adipate 9.11
    dimethyl sulfate 70.37
    ethyl butyrate 9.12
    methyl lactate 29.33
    butyl lactate 11.22
    diethyl carbonate 8.19
    propanediol butyl ether 12.65
    triethyl orthoformate 8.99
    p-tert-butyltoluene 1.09
    methyl 4-tert-butylbenzoate 13.28
    morpholine 40.75
    tert-butylamine 0.94
    n-dodecanol 1.43
    dimethoxymethane 57.51
    ethylene carbonate 31.65
    cyrene 30.28
    2-ethoxyethyl acetate 20.23
    2-ethylhexyl acetate 6.66
    1,2,4-trichlorobenzene 15.37
    4-methylpyridine 22.28
    dibutyl ether 3.28
    2,6-dimethyl-4-heptanol 1.31
    DEF 26.99
    dimethyl isosorbide 40.75
    tetrachloroethylene 26.84
    eugenol 14.38
    triacetin 22.53
    span 80 13.02
    1,4-butanediol 4.61
    1,1-dichloroethane 16.54
    2-methyl-1-pentanol 2.61
    methyl formate 54.37
    2-methyl-1-butanol 2.81
    n-decane 0.2
    butyronitrile 6.57
    3,7-dimethyl-1-octanol 2.31
    1-chlorooctane 1.16
    1-chlorotetradecane 0.61
    n-nonane 0.15
    undecane 0.16
    tert-butylcyclohexane 0.11
    cyclooctane 0.07
    cyclopentanol 7.22
    tetrahydropyran 13.18
    tert-amyl methyl ether 2.76
    2,5,8-trioxanonane 35.2
    1-hexene 0.6
    2-isopropoxyethanol 13.49
    2,2,2-trifluoroethanol 28.53
    methyl butyrate 15.66

    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