2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-(3-methyl-1-oxobutyl)-9-propyl-7H-furo[2,3-f][1]benzopyran-7-one

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  • Identifiers

    CAS number
    30390-03-5

    Molecular formula
    C22H28O6

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 31.93%
    Herbal 31.31%
    Woody 29.74%
    Animal 28.66%
    Dry 27.66%
    Mint 27.24%
    Fruity 25.64%
    Musk 25.19%
    Spicy 24.57%
    Phenolic 23.47%

     

    Flavor
    Bitter 72.72%
    Bland 25.42%
    Odorless 22.42%
    Cedarleaf 20.66%
    Parsley 20.22%
    Heather 19.35%
    Lovage 19.22%
    Green pepper 19.13%
    Broom 18.95%
    Genet 18.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.47 (weak base)

    Molecular weight
    388.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    846°C

    Melting point expt.

    • 128.5 - 129.5 °C

    Flash point

    • 234.47 ˚C est.

  • Synonyms

    • 2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-(3-methyl-1-oxobutyl)-9-propyl-7H-furo[2,3-f][1]benzopyran-7-one
    • 30390-03-5
    • 2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-(3-methyl-1-oxobutyl)-9-propyl-7H-furo[2,3-f][1]benzopyran-7-one, 9CI
    • 2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-(3-methyl-1-oxobutyl)-9-propyl-7H-furo(2,3-f)(1)benzopyran-7-one
    • 2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-(3-methyl-1-oxobutyl)-9-propyl-7H-furo(2,3-F)(1)benzopyran-7-one, 9ci
    • RefChem:81695
    • Cyclomammein
    • Mammea B/BA cyclo F
    • CHEBI:175940
    • DTXSID501106242
    • 4-hydroxy-2-(2-hydroxypropan-2-yl)-5-(3-methylbutanoyl)-9-propyl-2,3-dihydrouro[2,3-]chromen-7-one
    • 30390-03-5

  • Applications

    2,3-Dihydro-4-hydroxy-2-(1-hydroxy-1-methylethyl)-5-(3-methyl-1-oxobutyl)-9-propyl-7H-furo[2,3-f][1]benzopyran-7-one (CAS 30390-03-5) is primarily used as a specialized intermediate in organic synthesis and pharmaceutical development, providing a building block for complex molecules and potentially supporting the preparation of drug candidates. In perfumery and cosmetics, it may be evaluated as a fragrance odorant or aroma ingredient and can serve as a scaffold for scent formulations. In industrial settings, it is used as a specialty intermediate for the synthesis of chemical products in research and development contexts, including coatings, polymers, or related materials. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 142.29
    methanol 197.99
    isopropanol 98.39
    water 0.53
    ethyl acetate 114.55
    n-propanol 131.72
    acetone 237.99
    n-butanol 107.69
    acetonitrile 79.4
    DMF 984.32
    toluene 38.24
    isobutanol 105.78
    1,4-dioxane 174.45
    methyl acetate 169.6
    THF 500.42
    2-butanone 198.43
    n-pentanol 82.36
    sec-butanol 94.0
    n-hexane 1.53
    ethylene glycol 117.47
    NMP 1272.97
    cyclohexane 2.46
    DMSO 666.18
    n-butyl acetate 124.46
    n-octanol 33.59
    chloroform 344.79
    n-propyl acetate 106.15
    acetic acid 629.04
    dichloromethane 314.18
    cyclohexanone 377.76
    propylene glycol 202.42
    isopropyl acetate 93.37
    DMAc 837.31
    2-ethoxyethanol 212.26
    isopentanol 100.5
    n-heptane 1.06
    ethyl formate 134.54
    1,2-dichloroethane 216.23
    n-hexanol 68.61
    2-methoxyethanol 464.71
    isobutyl acetate 91.6
    tetrachloromethane 28.79
    n-pentyl acetate 109.65
    transcutol 576.7
    n-heptanol 44.41
    ethylbenzene 17.79
    MIBK 107.14
    2-propoxyethanol 290.91
    tert-butanol 94.67
    MTBE 48.58
    2-butoxyethanol 173.77
    propionic acid 288.5
    o-xylene 24.34
    formic acid 330.5
    diethyl ether 35.28
    m-xylene 29.1
    p-xylene 30.33
    chlorobenzene 92.66
    dimethyl carbonate 178.64
    n-octane 0.68
    formamide 353.89
    cyclopentanone 589.01
    2-pentanone 149.34
    anisole 61.57
    cyclopentyl methyl ether 138.51
    gamma-butyrolactone 759.08
    1-methoxy-2-propanol 361.67
    pyridine 234.6
    3-pentanone 105.33
    furfural 562.46
    n-dodecane 0.81
    diethylene glycol 292.98
    diisopropyl ether 12.35
    tert-amyl alcohol 91.21
    acetylacetone 240.06
    n-hexadecane 0.96
    acetophenone 124.38
    methyl propionate 182.24
    isopentyl acetate 130.51
    trichloroethylene 594.59
    n-nonanol 34.22
    cyclohexanol 110.15
    benzyl alcohol 122.6
    2-ethylhexanol 41.01
    isooctanol 39.78
    dipropyl ether 26.44
    1,2-dichlorobenzene 94.62
    ethyl lactate 122.46
    propylene carbonate 417.31
    n-methylformamide 434.79
    2-pentanol 58.34
    n-pentane 1.53
    1-propoxy-2-propanol 179.34
    1-methoxy-2-propyl acetate 202.72
    2-(2-methoxypropoxy) propanol 190.62
    mesitylene 14.78
    ε-caprolactone 420.3
    p-cymene 16.91
    epichlorohydrin 669.9
    1,1,1-trichloroethane 163.35
    2-aminoethanol 189.95
    morpholine-4-carbaldehyde 902.86
    sulfolane 1114.62
    2,2,4-trimethylpentane 2.03
    2-methyltetrahydrofuran 231.16
    n-hexyl acetate 122.28
    isooctane 1.33
    2-(2-butoxyethoxy)ethanol 250.41
    sec-butyl acetate 70.59
    tert-butyl acetate 108.38
    decalin 2.71
    glycerin 391.8
    diglyme 344.67
    acrylic acid 375.48
    isopropyl myristate 41.05
    n-butyric acid 293.7
    acetyl acetate 114.71
    di(2-ethylhexyl) phthalate 85.28
    ethyl propionate 91.65
    nitromethane 678.99
    1,2-diethoxyethane 89.67
    benzonitrile 120.48
    trioctyl phosphate 57.58
    1-bromopropane 62.86
    gamma-valerolactone 1001.71
    n-decanol 23.85
    triethyl phosphate 59.38
    4-methyl-2-pentanol 43.54
    propionitrile 87.14
    vinylene carbonate 382.35
    1,1,2-trichlorotrifluoroethane 729.92
    DMS 184.11
    cumene 15.61
    2-octanol 26.82
    2-hexanone 107.45
    octyl acetate 64.63
    limonene 22.75
    1,2-dimethoxyethane 223.61
    ethyl orthosilicate 52.91
    tributyl phosphate 70.34
    diacetone alcohol 202.6
    N,N-dimethylaniline 62.75
    acrylonitrile 154.98
    aniline 107.18
    1,3-propanediol 237.82
    bromobenzene 76.17
    dibromomethane 153.7
    1,1,2,2-tetrachloroethane 412.28
    2-methyl-cyclohexyl acetate 96.46
    tetrabutyl urea 100.03
    diisobutyl methanol 22.34
    2-phenylethanol 122.61
    styrene 21.35
    dioctyl adipate 86.52
    dimethyl sulfate 385.11
    ethyl butyrate 78.12
    methyl lactate 270.3
    butyl lactate 148.36
    diethyl carbonate 60.57
    propanediol butyl ether 216.33
    triethyl orthoformate 67.5
    p-tert-butyltoluene 17.31
    methyl 4-tert-butylbenzoate 149.78
    morpholine 314.65
    tert-butylamine 32.6
    n-dodecanol 16.53
    dimethoxymethane 326.53
    ethylene carbonate 295.41
    cyrene 285.28
    2-ethoxyethyl acetate 189.0
    2-ethylhexyl acetate 99.3
    1,2,4-trichlorobenzene 164.24
    4-methylpyridine 234.14
    dibutyl ether 22.0
    2,6-dimethyl-4-heptanol 22.34
    DEF 246.36
    dimethyl isosorbide 327.99
    tetrachloroethylene 211.48
    eugenol 164.1
    triacetin 195.16
    span 80 178.87
    1,4-butanediol 102.23
    1,1-dichloroethane 169.73
    2-methyl-1-pentanol 85.62
    methyl formate 340.82
    2-methyl-1-butanol 103.32
    n-decane 1.28
    butyronitrile 81.53
    3,7-dimethyl-1-octanol 38.92
    1-chlorooctane 11.6
    1-chlorotetradecane 4.88
    n-nonane 1.0
    undecane 0.99
    tert-butylcyclohexane 2.45
    cyclooctane 0.89
    cyclopentanol 176.12
    tetrahydropyran 123.42
    tert-amyl methyl ether 46.22
    2,5,8-trioxanonane 242.87
    1-hexene 9.76
    2-isopropoxyethanol 141.64
    2,2,2-trifluoroethanol 294.85
    methyl butyrate 135.43

    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