2,3-Dihydro-10-hydroxy-3,3-dimethyl-1H,7H-pyrano(2',3':6,7)benzofuro(3,2-c)(1)benzopyran-7-one

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  • Identifiers

    CAS number
    18979-00-5

    Molecular formula
    C20H16O5

    SMILES
    CC1(CCC2=C(O1)C=CC3=C2OC4=C3C(=O)OC5=C4C=CC(=C5)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 44.47%
    Sweet 35.9%
    Fruity 29.59%
    Animal 28.94%
    Powdery 28.59%
    Odorless 24.03%
    Coumarinic 23.5%
    Musk 23.26%
    Coconut 23.01%
    Dry 22.79%

     

    Flavor
    Bitter 96.05%
    Cedarleaf 19.39%
    Parsley 19.01%
    Very strong 18.91%
    Indole 18.69%
    Ripe apricot 18.54%
    Lovage 18.3%
    Red fruit 18.28%
    Eugenol 17.9%
    Sweet-like 17.86%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    8.04 (weak base)

    Molecular weight
    336.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    650°C

    Melting point expt.

    • 284 - 286 °C

    Flash point

    • 254.03 ˚C est.

  • Synonyms

    • Sojagol
    • Soyagol
    • 18979-00-5
    • CHEBI:9183
    • DTXSID70172400
    • 7-hydroxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),5(10),6,8,14(19),20-heptaen-3-one
    • 7-hydroxy-17,17-dimethyl-4,12,18-trioxapentacyclo(11.8.0.02,11.05,10.014,19)henicosa-1(13),2(11),5(10),6,8,14(19),20-heptaen-3-one
    • RefChem:1059356
    • DTXCID2094891
    • 2,3-Dihydro-10-hydroxy-3,3-dimethyl-1H,7H-pyrano(2',3':6,7)benzofuro(3,2-c)(1)benzopyran-7-one
    • 10-hydroxy-3,3-dimethyl-2,3-dihydro-1H,7H-pyrano[2',3':6,7][1]benzofuro[3,2-c][1]benzopyran-7-one
    • SCHEMBL30637608
    • GSAVLDZAGYKJSO-UHFFFAOYSA-N
    • LMPK12090012
    • 1H,7H-Furo[3,2-c:5,4-f']bis[1]benzopyran-7-one, 2,3-dihydro-10-hydroxy-3,3-dimethyl-
    • 3-Hydroxy-9,10-(2,2-dimethyl-1-oxabutane-1,4-diyl)-6H-benzofuro[3,2-c][1]benzopyran-6-one
    • Q27108302
    • 2,3-Dihydro-10-hydroxy-3,3-dimethyl-1H,7H-furo[2,3-c:5,4-f']bis[1]benzopyran-7-one, 9CI
    • 18979-00-5

  • Applications

    Chemical name 2,3-Dihydro-10-hydroxy-3,3-dimethyl-1H,7H-pyrano(2',3':6,7)benzofuro(3,2-c)(1)benzopyran-7-one (CAS 18979-00-5) is a polycyclic compound with a fused benzofuro/pyran framework and is commonly used as an intermediate or building block in the synthesis of complex organic molecules; real-world applications include as an intermediate in pharmaceutical and agrochemical synthesis, as a specialty chemical intermediate for dyes, pigments, and coatings/inks, as a potential fragrance component in perfumery, and as a building block for polymer and materials development, including exploratory work in optoelectronic or advanced polymer applications. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.06
    methanol 3.47
    isopropanol 3.03
    water 0.01
    ethyl acetate 13.16
    n-propanol 4.0
    acetone 22.74
    n-butanol 4.31
    acetonitrile 8.06
    DMF 113.1
    toluene 2.88
    isobutanol 4.17
    1,4-dioxane 29.56
    methyl acetate 21.68
    THF 68.84
    2-butanone 29.37
    n-pentanol 3.67
    sec-butanol 3.51
    n-hexane 0.04
    ethylene glycol 3.64
    NMP 94.64
    cyclohexane 0.1
    DMSO 108.08
    n-butyl acetate 17.67
    n-octanol 3.27
    chloroform 27.87
    n-propyl acetate 16.23
    acetic acid 23.25
    dichloromethane 25.4
    cyclohexanone 45.6
    propylene glycol 4.75
    isopropyl acetate 11.82
    DMAc 157.31
    2-ethoxyethanol 22.48
    isopentanol 5.92
    n-heptane 0.07
    ethyl formate 10.88
    1,2-dichloroethane 15.53
    n-hexanol 3.24
    2-methoxyethanol 43.82
    isobutyl acetate 14.86
    tetrachloromethane 1.04
    n-pentyl acetate 14.42
    transcutol 135.56
    n-heptanol 3.63
    ethylbenzene 1.42
    MIBK 13.39
    2-propoxyethanol 38.93
    tert-butanol 4.43
    MTBE 4.64
    2-butoxyethanol 21.61
    propionic acid 13.93
    o-xylene 1.94
    formic acid 9.18
    diethyl ether 3.06
    m-xylene 2.2
    p-xylene 2.73
    chlorobenzene 6.55
    dimethyl carbonate 21.6
    n-octane 0.06
    formamide 16.83
    cyclopentanone 68.46
    2-pentanone 16.18
    anisole 9.75
    cyclopentyl methyl ether 13.01
    gamma-butyrolactone 73.39
    1-methoxy-2-propanol 34.68
    pyridine 28.25
    3-pentanone 13.51
    furfural 57.47
    n-dodecane 0.18
    diethylene glycol 37.51
    diisopropyl ether 1.38
    tert-amyl alcohol 4.75
    acetylacetone 33.0
    n-hexadecane 0.22
    acetophenone 18.02
    methyl propionate 20.65
    isopentyl acetate 20.66
    trichloroethylene 56.13
    n-nonanol 4.18
    cyclohexanol 5.96
    benzyl alcohol 12.19
    2-ethylhexanol 3.71
    isooctanol 4.14
    dipropyl ether 4.08
    1,2-dichlorobenzene 7.72
    ethyl lactate 16.57
    propylene carbonate 34.22
    n-methylformamide 26.45
    2-pentanol 2.66
    n-pentane 0.04
    1-propoxy-2-propanol 26.87
    1-methoxy-2-propyl acetate 37.62
    2-(2-methoxypropoxy) propanol 39.47
    mesitylene 1.25
    ε-caprolactone 43.19
    p-cymene 2.25
    epichlorohydrin 85.5
    1,1,1-trichloroethane 10.66
    2-aminoethanol 5.97
    morpholine-4-carbaldehyde 107.48
    sulfolane 105.15
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 22.57
    n-hexyl acetate 16.14
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 43.66
    sec-butyl acetate 12.13
    tert-butyl acetate 14.4
    decalin 0.16
    glycerin 18.2
    diglyme 77.08
    acrylic acid 19.28
    isopropyl myristate 8.66
    n-butyric acid 17.29
    acetyl acetate 12.56
    di(2-ethylhexyl) phthalate 13.81
    ethyl propionate 13.99
    nitromethane 59.61
    1,2-diethoxyethane 24.39
    benzonitrile 15.56
    trioctyl phosphate 8.73
    1-bromopropane 3.9
    gamma-valerolactone 120.98
    n-decanol 3.41
    triethyl phosphate 12.25
    4-methyl-2-pentanol 3.0
    propionitrile 8.9
    vinylene carbonate 35.77
    1,1,2-trichlorotrifluoroethane 65.35
    DMS 31.56
    cumene 1.37
    2-octanol 2.69
    2-hexanone 16.55
    octyl acetate 10.97
    limonene 2.74
    1,2-dimethoxyethane 45.19
    ethyl orthosilicate 10.25
    tributyl phosphate 11.69
    diacetone alcohol 26.55
    N,N-dimethylaniline 6.91
    acrylonitrile 18.28
    aniline 9.27
    1,3-propanediol 12.36
    bromobenzene 6.03
    dibromomethane 9.1
    1,1,2,2-tetrachloroethane 39.51
    2-methyl-cyclohexyl acetate 16.36
    tetrabutyl urea 17.39
    diisobutyl methanol 3.09
    2-phenylethanol 14.2
    styrene 1.93
    dioctyl adipate 16.88
    dimethyl sulfate 48.28
    ethyl butyrate 13.64
    methyl lactate 26.96
    butyl lactate 19.21
    diethyl carbonate 11.56
    propanediol butyl ether 21.09
    triethyl orthoformate 13.79
    p-tert-butyltoluene 2.1
    methyl 4-tert-butylbenzoate 22.31
    morpholine 40.43
    tert-butylamine 1.43
    n-dodecanol 2.75
    dimethoxymethane 46.07
    ethylene carbonate 28.33
    cyrene 37.03
    2-ethoxyethyl acetate 32.86
    2-ethylhexyl acetate 15.69
    1,2,4-trichlorobenzene 14.3
    4-methylpyridine 26.33
    dibutyl ether 5.23
    2,6-dimethyl-4-heptanol 3.09
    DEF 27.72
    dimethyl isosorbide 60.0
    tetrachloroethylene 14.57
    eugenol 25.15
    triacetin 32.4
    span 80 23.67
    1,4-butanediol 4.74
    1,1-dichloroethane 10.86
    2-methyl-1-pentanol 5.01
    methyl formate 22.78
    2-methyl-1-butanol 5.37
    n-decane 0.22
    butyronitrile 7.45
    3,7-dimethyl-1-octanol 5.13
    1-chlorooctane 1.59
    1-chlorotetradecane 0.98
    n-nonane 0.14
    undecane 0.19
    tert-butylcyclohexane 0.15
    cyclooctane 0.04
    cyclopentanol 8.07
    tetrahydropyran 14.26
    tert-amyl methyl ether 4.67
    2,5,8-trioxanonane 60.9
    1-hexene 0.35
    2-isopropoxyethanol 17.04
    2,2,2-trifluoroethanol 10.12
    methyl butyrate 19.53

    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