8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-propyl-2H-furo(2,3-h)-1-benzopyran-2-one

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  • Identifiers

    CAS number
    38537-82-5

    Molecular formula
    C21H26O6

    SMILES
    CCCC1=CC(=O)OC2=C3CC(OC3=C(C(=C12)O)C(=O)CCC)C(C)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 30.32%
    Odorless 30.11%
    Sweet 29.27%
    Animal 27.81%
    Dry 27.53%
    Woody 27.35%
    Musk 26.22%
    Herbal 24.12%
    Spicy 23.71%
    Floral 23.41%

     

    Flavor
    Bitter 70.5%
    Bland 26.04%
    Odorless 23.68%
    Cedarleaf 20.85%
    Parsley 20.75%
    Lovage 20.02%
    Heather 19.58%
    Broom 19.23%
    Red fruit 19.2%
    Genet 19.14%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.06 (weak base)

    Molecular weight
    374.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    813°C

    Melting point expt.

    • 75 - 81 °C

    Flash point

    • 241.87 ˚C est.

  • Synonyms

    • 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-propyl-2H-furo[2,3-h]-1-benzopyran-2-one
    • 38537-82-5
    • 6-butanoyl-5-hydroxy-8-(2-hydroxypropan-2-yl)-4-propyl-2H,8H,9H-furo[2,3-h]chromen-2-one
    • 6-butanoyl-5-hydroxy-8-(2-hydroxypropan-2-yl)-4-propyl-2H,8H,9H-furo(2,3-h)chromen-2-one
    • 6-butanoyl-5-hydroxy-8-(2-hydroxypropan-2-yl)-4-propyl-8,9-dihydrofuro(2,3-h)chromen-2-one
    • 6-butanoyl-5-hydroxy-8-(2-hydroxypropan-2-yl)-4-propyl-8,9-dihydrofuro[2,3-h]chromen-2-one
    • 8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-propyl-2H-furo(2,3-h)-1-benzopyran-2-one
    • RefChem:106775
    • Mammea B/AC cyclo F
    • CHEMBL452851
    • CHEBI:175812
    • DTXSID601109851
    • DB-264163
    • 6-Butyryl-8,9-dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-4-propylfuro[2,3-h]coumarin
    • 6-butanoyl-5-hydroxy-8-(2-hydroxypropan-2-yl)-4-propyl-8,9-dihydrouro[2,3-h]chromen-2-one
    • 38537-82-5

  • Applications

    8,9-Dihydro-5-hydroxy-8-(1-hydroxy-1-methylethyl)-6-(1-oxobutyl)-4-propyl-2H-furo(2,3-h)-1-benzopyran-2-one (CAS 38537-82-5) is a specialized building block in fragrance chemistry and cosmetics, typically serving as an odorant or aroma precursor and as a cosmetic fragrance component; it is commonly evaluated as a flavor precursor in flavor applications, as a pharmaceutical synthesis intermediate, and as a specialty precursor for coatings, inks, and polymer formulations; it can also appear in cleaning product formulations as a fragrance ingredient, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 102.26
    methanol 130.71
    isopropanol 76.85
    water 0.23
    ethyl acetate 99.56
    n-propanol 92.79
    acetone 213.78
    n-butanol 90.68
    acetonitrile 70.16
    DMF 749.92
    toluene 33.21
    isobutanol 77.73
    1,4-dioxane 149.28
    methyl acetate 137.24
    THF 425.92
    2-butanone 177.91
    n-pentanol 60.85
    sec-butanol 74.39
    n-hexane 1.09
    ethylene glycol 66.6
    NMP 912.55
    cyclohexane 2.19
    DMSO 521.55
    n-butyl acetate 87.99
    n-octanol 20.6
    chloroform 286.82
    n-propyl acetate 78.51
    acetic acid 426.74
    dichloromethane 267.51
    cyclohexanone 332.53
    propylene glycol 104.13
    isopropyl acetate 78.06
    DMAc 687.61
    2-ethoxyethanol 149.26
    isopentanol 82.97
    n-heptane 0.66
    ethyl formate 106.17
    1,2-dichloroethane 195.34
    n-hexanol 48.99
    2-methoxyethanol 324.53
    isobutyl acetate 65.97
    tetrachloromethane 23.95
    n-pentyl acetate 76.3
    transcutol 314.97
    n-heptanol 28.55
    ethylbenzene 14.76
    MIBK 86.91
    2-propoxyethanol 196.63
    tert-butanol 75.55
    MTBE 38.74
    2-butoxyethanol 113.68
    propionic acid 198.2
    o-xylene 20.36
    formic acid 204.23
    diethyl ether 32.81
    m-xylene 23.18
    p-xylene 24.28
    chlorobenzene 83.77
    dimethyl carbonate 135.48
    n-octane 0.45
    formamide 236.93
    cyclopentanone 493.75
    2-pentanone 132.22
    anisole 47.68
    cyclopentyl methyl ether 110.78
    gamma-butyrolactone 564.43
    1-methoxy-2-propanol 245.72
    pyridine 205.5
    3-pentanone 94.34
    furfural 403.69
    n-dodecane 0.63
    diethylene glycol 192.3
    diisopropyl ether 10.05
    tert-amyl alcohol 68.41
    acetylacetone 192.36
    n-hexadecane 0.75
    acetophenone 91.99
    methyl propionate 141.0
    isopentyl acetate 91.96
    trichloroethylene 482.75
    n-nonanol 22.05
    cyclohexanol 95.87
    benzyl alcohol 92.46
    2-ethylhexanol 30.51
    isooctanol 26.51
    dipropyl ether 18.93
    1,2-dichlorobenzene 77.81
    ethyl lactate 84.85
    propylene carbonate 305.91
    n-methylformamide 301.99
    2-pentanol 48.55
    n-pentane 1.19
    1-propoxy-2-propanol 114.1
    1-methoxy-2-propyl acetate 137.81
    2-(2-methoxypropoxy) propanol 119.67
    mesitylene 11.61
    ε-caprolactone 324.44
    p-cymene 13.61
    epichlorohydrin 510.49
    1,1,1-trichloroethane 135.8
    2-aminoethanol 109.49
    morpholine-4-carbaldehyde 624.47
    sulfolane 752.72
    2,2,4-trimethylpentane 1.49
    2-methyltetrahydrofuran 192.56
    n-hexyl acetate 82.14
    isooctane 0.96
    2-(2-butoxyethoxy)ethanol 151.14
    sec-butyl acetate 54.22
    tert-butyl acetate 81.02
    decalin 2.17
    glycerin 211.17
    diglyme 218.99
    acrylic acid 252.21
    isopropyl myristate 28.37
    n-butyric acid 226.48
    acetyl acetate 94.24
    di(2-ethylhexyl) phthalate 56.98
    ethyl propionate 70.82
    nitromethane 473.9
    1,2-diethoxyethane 61.06
    benzonitrile 99.51
    trioctyl phosphate 39.66
    1-bromopropane 57.93
    gamma-valerolactone 718.67
    n-decanol 16.18
    triethyl phosphate 46.75
    4-methyl-2-pentanol 34.73
    propionitrile 75.96
    vinylene carbonate 282.38
    1,1,2-trichlorotrifluoroethane 494.38
    DMS 123.5
    cumene 12.54
    2-octanol 17.62
    2-hexanone 83.46
    octyl acetate 44.3
    limonene 17.78
    1,2-dimethoxyethane 166.54
    ethyl orthosilicate 40.42
    tributyl phosphate 47.95
    diacetone alcohol 143.88
    N,N-dimethylaniline 44.66
    acrylonitrile 131.73
    aniline 89.65
    1,3-propanediol 165.92
    bromobenzene 69.34
    dibromomethane 138.28
    1,1,2,2-tetrachloroethane 326.26
    2-methyl-cyclohexyl acetate 67.53
    tetrabutyl urea 69.43
    diisobutyl methanol 16.6
    2-phenylethanol 88.44
    styrene 18.49
    dioctyl adipate 58.18
    dimethyl sulfate 269.2
    ethyl butyrate 57.43
    methyl lactate 181.92
    butyl lactate 93.28
    diethyl carbonate 46.97
    propanediol butyl ether 120.19
    triethyl orthoformate 48.77
    p-tert-butyltoluene 12.75
    methyl 4-tert-butylbenzoate 98.92
    morpholine 251.29
    tert-butylamine 26.12
    n-dodecanol 11.54
    dimethoxymethane 249.89
    ethylene carbonate 228.54
    cyrene 185.59
    2-ethoxyethyl acetate 126.3
    2-ethylhexyl acetate 69.25
    1,2,4-trichlorobenzene 125.48
    4-methylpyridine 201.93
    dibutyl ether 15.93
    2,6-dimethyl-4-heptanol 16.6
    DEF 203.58
    dimethyl isosorbide 208.7
    tetrachloroethylene 177.1
    eugenol 107.24
    triacetin 119.26
    span 80 106.45
    1,4-butanediol 65.63
    1,1-dichloroethane 152.63
    2-methyl-1-pentanol 66.81
    methyl formate 244.89
    2-methyl-1-butanol 83.03
    n-decane 0.92
    butyronitrile 78.07
    3,7-dimethyl-1-octanol 26.13
    1-chlorooctane 8.6
    1-chlorotetradecane 3.83
    n-nonane 0.7
    undecane 0.74
    tert-butylcyclohexane 1.73
    cyclooctane 0.7
    cyclopentanol 134.78
    tetrahydropyran 114.7
    tert-amyl methyl ether 36.67
    2,5,8-trioxanonane 158.37
    1-hexene 7.97
    2-isopropoxyethanol 97.34
    2,2,2-trifluoroethanol 195.21
    methyl butyrate 104.98

    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