6-((2R)-2,3-Dihydroxy-3-methylbutyl)-5,7-dimethoxy-2H-1-benzopyran-2-one

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  • Identifiers

    CAS number
    483-90-9

    Molecular formula
    C16H20O6

    SMILES
    CC(C)([C@@H](CC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)O)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 44.76%
    Vanilla 42.14%
    Creamy 34.21%
    Odorless 33.65%
    Powdery 33.21%
    Musk 29.38%
    Milky 27.87%
    Fruity 27.44%
    Floral 26.31%
    Balsamic 24.73%

     

    Flavor
    Bitter 63.76%
    Odorless 28.49%
    Bland 26.31%
    Mild 24.62%
    Fruity 23.68%
    Sweet-like 20.57%
    Parsley 19.62%
    Cedarleaf 19.22%
    Eugenol 18.83%
    Heather 18.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.88 (neutral)

    Molecular weight
    308.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    622°C

    Flash point

    • 201.05 ˚C est.

  • Synonyms

    • Toddalolactone
    • 483-90-9
    • 6-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one
    • 2H-1-Benzopyran-2-one, 6-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxy-
    • DTXSID00197484
    • 6-[(2R)-2,3-Dihydroxy-3-methylbutyl]-5,7-dimethoxy-2H-1-benzopyran-2-one
    • 6-((2R)-2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxychromen-2-one
    • 6-((2R)-2,3-Dihydroxy-3-methylbutyl)-5,7-dimethoxy-2H-1-benzopyran-2-one
    • RefChem:913716
    • DTXCID10119975
    • 6-[(2r)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxy-2h-chromen-2-one
    • orb1302351
    • CHEMBL2236569
    • SCHEMBL29366931
    • SCHEMBL30725516
    • WLZ4657
    • CHEBI:228914
    • HY-N0518
    • s9194
    • AKOS000277888
    • CCG-267560
    • EBC-616255
    • AC-34493
    • MS-24465
    • CS-0009057
    • 483-90-9

  • Applications

    6-((2R)-2,3-Dihydroxy-3-methylbutyl)-5,7-dimethoxy-2H-1-benzopyran-2-one (CAS 483-90-9) is a substituted coumarin/chromone derivative whose typical real-world applications include as a fragrance/odorant ingredient in perfumery and cosmetics, where its chromone core and methoxy groups support blending with natural scent notes; it may also serve as an aroma precursor in flavor formulations. In industrial manufacturing, it can function as a chemical intermediate for the synthesis of more complex specialty chemicals and as a building block in pharmaceutical and agrochemical manufacturing, all subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.37
    methanol 70.53
    isopropanol 17.2
    water 0.35
    ethyl acetate 14.67
    n-propanol 21.11
    acetone 28.08
    n-butanol 12.61
    acetonitrile 17.1
    DMF 385.1
    toluene 1.37
    isobutanol 12.78
    1,4-dioxane 55.04
    methyl acetate 26.93
    THF 163.48
    2-butanone 22.95
    n-pentanol 8.86
    sec-butanol 11.68
    n-hexane 0.06
    ethylene glycol 33.37
    NMP 255.05
    cyclohexane 0.18
    DMSO 354.23
    n-butyl acetate 10.13
    n-octanol 3.92
    chloroform 13.56
    n-propyl acetate 14.52
    acetic acid 167.18
    dichloromethane 18.03
    cyclohexanone 46.45
    propylene glycol 35.11
    isopropyl acetate 9.11
    DMAc 370.82
    2-ethoxyethanol 76.84
    isopentanol 11.77
    n-heptane 0.09
    ethyl formate 21.67
    1,2-dichloroethane 13.56
    n-hexanol 5.06
    2-methoxyethanol 189.03
    isobutyl acetate 8.77
    tetrachloromethane 1.23
    n-pentyl acetate 7.6
    transcutol 142.04
    n-heptanol 5.07
    ethylbenzene 1.24
    MIBK 9.39
    2-propoxyethanol 59.57
    tert-butanol 22.7
    MTBE 7.77
    2-butoxyethanol 32.61
    propionic acid 41.31
    o-xylene 1.83
    formic acid 162.91
    diethyl ether 4.24
    m-xylene 1.37
    p-xylene 2.49
    chlorobenzene 3.41
    dimethyl carbonate 36.15
    n-octane 0.06
    formamide 211.78
    cyclopentanone 90.96
    2-pentanone 12.73
    anisole 10.59
    cyclopentyl methyl ether 19.02
    gamma-butyrolactone 142.18
    1-methoxy-2-propanol 91.36
    pyridine 31.15
    3-pentanone 9.13
    furfural 111.21
    n-dodecane 0.08
    diethylene glycol 84.55
    diisopropyl ether 1.0
    tert-amyl alcohol 17.13
    acetylacetone 34.87
    n-hexadecane 0.1
    acetophenone 21.1
    methyl propionate 26.26
    isopentyl acetate 11.84
    trichloroethylene 34.89
    n-nonanol 4.27
    cyclohexanol 11.32
    benzyl alcohol 18.77
    2-ethylhexanol 3.79
    isooctanol 4.61
    dipropyl ether 3.97
    1,2-dichlorobenzene 5.32
    ethyl lactate 22.6
    propylene carbonate 56.58
    n-methylformamide 140.5
    2-pentanol 4.7
    n-pentane 0.05
    1-propoxy-2-propanol 29.2
    1-methoxy-2-propyl acetate 26.88
    2-(2-methoxypropoxy) propanol 39.02
    mesitylene 1.02
    ε-caprolactone 55.48
    p-cymene 1.71
    epichlorohydrin 124.87
    1,1,1-trichloroethane 5.32
    2-aminoethanol 49.14
    morpholine-4-carbaldehyde 236.86
    sulfolane 202.63
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 40.55
    n-hexyl acetate 10.83
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 47.11
    sec-butyl acetate 7.92
    tert-butyl acetate 12.96
    decalin 0.2
    glycerin 99.6
    diglyme 102.36
    acrylic acid 59.63
    isopropyl myristate 3.89
    n-butyric acid 38.88
    acetyl acetate 15.43
    di(2-ethylhexyl) phthalate 9.18
    ethyl propionate 13.17
    nitromethane 222.43
    1,2-diethoxyethane 13.97
    benzonitrile 12.88
    trioctyl phosphate 5.65
    1-bromopropane 2.28
    gamma-valerolactone 185.54
    n-decanol 2.94
    triethyl phosphate 11.07
    4-methyl-2-pentanol 3.76
    propionitrile 11.28
    vinylene carbonate 50.59
    1,1,2-trichlorotrifluoroethane 139.38
    DMS 21.02
    cumene 1.32
    2-octanol 2.53
    2-hexanone 11.8
    octyl acetate 5.91
    limonene 2.21
    1,2-dimethoxyethane 104.4
    ethyl orthosilicate 9.7
    tributyl phosphate 7.09
    diacetone alcohol 39.06
    N,N-dimethylaniline 10.42
    acrylonitrile 25.86
    aniline 9.1
    1,3-propanediol 67.22
    bromobenzene 2.32
    dibromomethane 5.52
    1,1,2,2-tetrachloroethane 27.91
    2-methyl-cyclohexyl acetate 13.83
    tetrabutyl urea 11.81
    diisobutyl methanol 2.74
    2-phenylethanol 13.62
    styrene 1.45
    dioctyl adipate 10.47
    dimethyl sulfate 84.14
    ethyl butyrate 10.19
    methyl lactate 44.58
    butyl lactate 15.11
    diethyl carbonate 10.07
    propanediol butyl ether 30.16
    triethyl orthoformate 11.05
    p-tert-butyltoluene 1.66
    methyl 4-tert-butylbenzoate 23.22
    morpholine 98.59
    tert-butylamine 4.88
    n-dodecanol 1.98
    dimethoxymethane 104.1
    ethylene carbonate 39.49
    cyrene 57.86
    2-ethoxyethyl acetate 20.27
    2-ethylhexyl acetate 8.51
    1,2,4-trichlorobenzene 9.97
    4-methylpyridine 25.29
    dibutyl ether 2.99
    2,6-dimethyl-4-heptanol 2.74
    DEF 48.16
    dimethyl isosorbide 65.39
    tetrachloroethylene 16.44
    eugenol 26.38
    triacetin 24.4
    span 80 25.08
    1,4-butanediol 20.86
    1,1-dichloroethane 4.66
    2-methyl-1-pentanol 8.82
    methyl formate 102.92
    2-methyl-1-butanol 11.39
    n-decane 0.13
    butyronitrile 8.57
    3,7-dimethyl-1-octanol 4.32
    1-chlorooctane 0.93
    1-chlorotetradecane 0.42
    n-nonane 0.09
    undecane 0.1
    tert-butylcyclohexane 0.17
    cyclooctane 0.06
    cyclopentanol 24.26
    tetrahydropyran 19.2
    tert-amyl methyl ether 7.05
    2,5,8-trioxanonane 69.89
    1-hexene 0.41
    2-isopropoxyethanol 38.41
    2,2,2-trifluoroethanol 66.16
    methyl butyrate 21.89

    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