(7S,8R)-7,8-Dihydro-8-hydroxy-4-methoxy-7-methyl-5H-furo[2,3-g][2]benzopyran-5-one

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  • Identifiers

    CAS number
    177795-34-5

    Molecular formula
    C13H12O5

    SMILES
    C[C@H]1[C@@H](C2=CC3=C(C=CO3)C(=C2C(=O)O1)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 57.35%
    Vanilla 49.26%
    Creamy 35.25%
    Phenolic 32.5%
    Odorless 32.36%
    Caramellic 31.97%
    Powdery 30.79%
    Coumarinic 30.49%
    Coconut 28.22%
    Lactonic 26.95%

     

    Flavor
    Bitter 87.52%
    Bland 24.56%
    Sweet-like 21.2%
    Parsley 20.69%
    Cedarleaf 20.29%
    Lovage 19.77%
    Odorless 19.72%
    Eugenol 19.34%
    Ripe apricot 19.12%
    Fenugreek 18.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    6.25 (neutral)

    Molecular weight
    248.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    533°C

    Flash point

    • 209.38 ˚C est.

  • Synonyms

    • (7S,8R)-7,8-Dihydro-8-hydroxy-4-methoxy-7-methyl-5H-furo[2,3-g][2]benzopyran-5-one
    • 177795-34-5
    • (7S,8R)-7,8-Dihydro-8-hydroxy-4-methoxy-7-methyl-5H-furo(2,3-g)(2)benzopyran-5-one
    • RefChem:209876
    • Coriandrone E
    • CHEBI:172489
    • DTXSID301131732
    • (7S,8R)-8-Hydroxy-4-methoxy-7-methyl-7,8-dihydro-5H-furo[2,3-g][2]benzopyran-5-one
    • (7S,8R)-8-hydroxy-4-methoxy-7-methyl-7,8-dihydrouro[2,3-g]isochromen-5-one
    • 177795-34-5

  • Applications

    The compound (7S,8R)-7,8-Dihydro-8-hydroxy-4-methoxy-7-methyl-5H-furo[2,3-g][2]benzopyran-5-one (CAS 177795-34-5) is primarily encountered as an intermediate or building block in medicinal chemistry research and the synthesis of polycyclic aromatic compounds. It is commonly evaluated for pharmaceutical research as a scaffold for medicinal chemistry and for preparing related dye or pigment intermediates in specialty chemical manufacturing. In cosmetics and fragrance chemistry, it may be explored as a fragrance precursor or reference material when developing novel aroma compounds. It may also be investigated as a scaffold in materials science for polymers or coatings and for related electronic/optical research, though specific uses depend on regulatory status and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.68
    methanol 3.15
    isopropanol 1.87
    water 0.05
    ethyl acetate 5.49
    n-propanol 1.6
    acetone 12.51
    n-butanol 2.14
    acetonitrile 4.01
    DMF 57.37
    toluene 3.44
    isobutanol 1.81
    1,4-dioxane 23.96
    methyl acetate 9.19
    THF 30.55
    2-butanone 9.19
    n-pentanol 2.32
    sec-butanol 1.15
    n-hexane 0.07
    ethylene glycol 3.39
    NMP 65.22
    cyclohexane 0.31
    DMSO 45.66
    n-butyl acetate 8.68
    n-octanol 4.52
    chloroform 11.51
    n-propyl acetate 7.27
    acetic acid 8.12
    dichloromethane 13.19
    cyclohexanone 31.0
    propylene glycol 1.0
    isopropyl acetate 5.76
    DMAc 77.63
    2-ethoxyethanol 9.98
    isopentanol 3.75
    n-heptane 0.18
    ethyl formate 7.73
    1,2-dichloroethane 12.46
    n-hexanol 4.05
    2-methoxyethanol 19.89
    isobutyl acetate 7.93
    tetrachloromethane 1.7
    n-pentyl acetate 8.65
    transcutol 16.09
    n-heptanol 4.85
    ethylbenzene 3.03
    MIBK 8.23
    2-propoxyethanol 18.73
    tert-butanol 4.6
    MTBE 2.17
    2-butoxyethanol 14.08
    propionic acid 4.16
    o-xylene 4.13
    formic acid 8.61
    diethyl ether 1.69
    m-xylene 3.77
    p-xylene 5.51
    chlorobenzene 7.77
    dimethyl carbonate 13.3
    n-octane 0.18
    formamide 15.19
    cyclopentanone 35.61
    2-pentanone 7.53
    anisole 8.11
    cyclopentyl methyl ether 8.9
    gamma-butyrolactone 37.51
    1-methoxy-2-propanol 10.37
    pyridine 18.32
    3-pentanone 7.12
    furfural 42.77
    n-dodecane 0.38
    diethylene glycol 25.35
    diisopropyl ether 0.99
    tert-amyl alcohol 2.61
    acetylacetone 17.73
    n-hexadecane 0.47
    acetophenone 15.9
    methyl propionate 8.38
    isopentyl acetate 10.55
    trichloroethylene 26.65
    n-nonanol 5.12
    cyclohexanol 4.74
    benzyl alcohol 10.67
    2-ethylhexanol 4.3
    isooctanol 4.89
    dipropyl ether 2.95
    1,2-dichlorobenzene 10.29
    ethyl lactate 7.81
    propylene carbonate 19.1
    n-methylformamide 14.77
    2-pentanol 1.27
    n-pentane 0.05
    1-propoxy-2-propanol 10.27
    1-methoxy-2-propyl acetate 13.73
    2-(2-methoxypropoxy) propanol 15.25
    mesitylene 2.69
    ε-caprolactone 22.86
    p-cymene 4.26
    epichlorohydrin 34.17
    1,1,1-trichloroethane 7.38
    2-aminoethanol 2.8
    morpholine-4-carbaldehyde 57.11
    sulfolane 55.85
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 10.89
    n-hexyl acetate 10.09
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 15.04
    sec-butyl acetate 5.49
    tert-butyl acetate 7.91
    decalin 0.48
    glycerin 6.53
    diglyme 31.16
    acrylic acid 7.06
    isopropyl myristate 5.66
    n-butyric acid 6.49
    acetyl acetate 7.54
    di(2-ethylhexyl) phthalate 8.97
    ethyl propionate 6.62
    nitromethane 23.5
    1,2-diethoxyethane 7.13
    benzonitrile 14.59
    trioctyl phosphate 6.85
    1-bromopropane 2.48
    gamma-valerolactone 50.92
    n-decanol 4.02
    triethyl phosphate 8.9
    4-methyl-2-pentanol 2.24
    propionitrile 4.89
    vinylene carbonate 22.81
    1,1,2-trichlorotrifluoroethane 30.42
    DMS 14.43
    cumene 2.94
    2-octanol 3.28
    2-hexanone 8.61
    octyl acetate 7.19
    limonene 4.54
    1,2-dimethoxyethane 27.07
    ethyl orthosilicate 7.96
    tributyl phosphate 7.15
    diacetone alcohol 13.01
    N,N-dimethylaniline 8.64
    acrylonitrile 9.97
    aniline 7.04
    1,3-propanediol 6.3
    bromobenzene 7.05
    dibromomethane 5.66
    1,1,2,2-tetrachloroethane 20.43
    2-methyl-cyclohexyl acetate 11.98
    tetrabutyl urea 11.94
    diisobutyl methanol 3.3
    2-phenylethanol 13.53
    styrene 3.15
    dioctyl adipate 9.46
    dimethyl sulfate 28.1
    ethyl butyrate 7.26
    methyl lactate 10.17
    butyl lactate 7.99
    diethyl carbonate 6.96
    propanediol butyl ether 8.07
    triethyl orthoformate 7.93
    p-tert-butyltoluene 3.59
    methyl 4-tert-butylbenzoate 16.23
    morpholine 19.21
    tert-butylamine 1.84
    n-dodecanol 3.26
    dimethoxymethane 25.66
    ethylene carbonate 18.53
    cyrene 25.23
    2-ethoxyethyl acetate 12.12
    2-ethylhexyl acetate 8.85
    1,2,4-trichlorobenzene 13.76
    4-methylpyridine 17.88
    dibutyl ether 3.5
    2,6-dimethyl-4-heptanol 3.3
    DEF 16.48
    dimethyl isosorbide 28.54
    tetrachloroethylene 15.42
    eugenol 17.36
    triacetin 12.75
    span 80 10.85
    1,4-butanediol 3.02
    1,1-dichloroethane 5.54
    2-methyl-1-pentanol 3.67
    methyl formate 17.49
    2-methyl-1-butanol 2.42
    n-decane 0.49
    butyronitrile 4.56
    3,7-dimethyl-1-octanol 4.55
    1-chlorooctane 2.47
    1-chlorotetradecane 1.56
    n-nonane 0.32
    undecane 0.43
    tert-butylcyclohexane 0.35
    cyclooctane 0.16
    cyclopentanol 5.36
    tetrahydropyran 9.05
    tert-amyl methyl ether 2.37
    2,5,8-trioxanonane 26.17
    1-hexene 0.47
    2-isopropoxyethanol 8.49
    2,2,2-trifluoroethanol 8.42
    methyl butyrate 10.22

    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