8-((2S)-2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one

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  • Identifiers

    CAS number
    5875-49-0

    Molecular formula
    C15H18O5

    SMILES
    CC(C)([C@H](CC1=C(C=CC2=C1OC(=O)C=C2)OC)O)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 48.0%
    Vanilla 43.0%
    Creamy 37.22%
    Powdery 34.06%
    Odorless 31.53%
    Musk 29.22%
    Milky 28.52%
    Floral 28.09%
    Fruity 27.19%
    Balsamic 24.48%

     

    Flavor
    Bitter 64.32%
    Fruity 30.57%
    Odorless 29.13%
    Mild 26.0%
    Bland 23.21%
    Sweet-like 20.26%
    Orange flower 18.97%
    Sweet 18.83%
    Parsley 18.71%
    Orange blossom 18.7%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.33 (weak base)

    Molecular weight
    278.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    545°C

    Flash point

    • 198.25 ˚C est.

  • Synonyms

    • 8-[(2S)-2,3-dihydroxy-3-methylbutyl]-7-methoxychromen-2-one
    • 8-((2S)-2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one
    • RefChem:1074608
    • Meranzin hydrate
    • 5875-49-0
    • Meranzin (hydrate)
    • MFCD18974714
    • (-)-8-[(S)-2,3-Dihydroxy-3-methylbutyl]-7-methoxy-2H-1-benzopyran-2-one
    • merazin hydrate
    • 8-[2,3-dihydroxy-3-methylbutyl]-7-methoxy-2H-1-benzopyran-2-one
    • Meranzin (hydrate) (Standard)
    • orb1297287
    • HY-N3297R
    • HY-N3297
    • AKOS032962086
    • DA-55349
    • MS-23947
    • Meranzin hydrate, >=90% (LC/MS-ELSD)
    • CS-0023839
    • C75749
    • 8-[(2S)-2,3-dihydroxy-3-methyl-butyl]-7-methoxy-chromen-2-one
    • 5875-49-0

  • Applications

    8-((2S)-2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one (CAS 5875-49-0) is a chromone/coumarin derivative that may be employed as a fragrance ingredient in perfumery and as a precursor for flavor formulations. In cosmetics and personal care, it may be used as a fragrance component or as a scaffold for cosmetic ingredients. In pharmaceutical research and development, it can serve as a chiral building block or intermediate for the synthesis of more complex chromone/coumarin derivatives. In industrial chemical synthesis, it is commonly viewed as an intermediate for producing related chromone compounds and for further functionalization in medicinal chemistry or materials-oriented research, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 38.68
    methanol 84.99
    isopropanol 19.13
    water 0.58
    ethyl acetate 19.27
    n-propanol 23.68
    acetone 24.14
    n-butanol 14.7
    acetonitrile 14.58
    DMF 467.22
    toluene 1.76
    isobutanol 13.44
    1,4-dioxane 72.15
    methyl acetate 29.78
    THF 155.4
    2-butanone 20.62
    n-pentanol 9.49
    sec-butanol 14.24
    n-hexane 0.07
    ethylene glycol 43.08
    NMP 199.11
    cyclohexane 0.17
    DMSO 252.39
    n-butyl acetate 10.29
    n-octanol 3.75
    chloroform 6.44
    n-propyl acetate 13.95
    acetic acid 132.39
    dichloromethane 9.19
    cyclohexanone 39.46
    propylene glycol 44.19
    isopropyl acetate 12.3
    DMAc 409.05
    2-ethoxyethanol 104.9
    isopentanol 14.55
    n-heptane 0.11
    ethyl formate 19.98
    1,2-dichloroethane 8.16
    n-hexanol 6.03
    2-methoxyethanol 258.05
    isobutyl acetate 8.21
    tetrachloromethane 0.66
    n-pentyl acetate 7.1
    transcutol 242.64
    n-heptanol 5.64
    ethylbenzene 1.45
    MIBK 11.07
    2-propoxyethanol 73.64
    tert-butanol 28.28
    MTBE 11.04
    2-butoxyethanol 37.56
    propionic acid 37.59
    o-xylene 2.2
    formic acid 163.77
    diethyl ether 6.29
    m-xylene 1.76
    p-xylene 2.66
    chlorobenzene 2.91
    dimethyl carbonate 38.3
    n-octane 0.08
    formamide 258.44
    cyclopentanone 77.61
    2-pentanone 13.1
    anisole 13.34
    cyclopentyl methyl ether 22.78
    gamma-butyrolactone 125.61
    1-methoxy-2-propanol 126.15
    pyridine 31.19
    3-pentanone 8.82
    furfural 102.91
    n-dodecane 0.1
    diethylene glycol 106.29
    diisopropyl ether 1.6
    tert-amyl alcohol 21.6
    acetylacetone 40.11
    n-hexadecane 0.12
    acetophenone 21.22
    methyl propionate 28.74
    isopentyl acetate 13.41
    trichloroethylene 21.36
    n-nonanol 4.24
    cyclohexanol 11.53
    benzyl alcohol 20.57
    2-ethylhexanol 4.1
    isooctanol 5.12
    dipropyl ether 4.51
    1,2-dichlorobenzene 4.41
    ethyl lactate 21.64
    propylene carbonate 47.87
    n-methylformamide 158.62
    2-pentanol 6.79
    n-pentane 0.06
    1-propoxy-2-propanol 35.25
    1-methoxy-2-propyl acetate 35.16
    2-(2-methoxypropoxy) propanol 49.67
    mesitylene 1.28
    ε-caprolactone 53.18
    p-cymene 1.76
    epichlorohydrin 112.23
    1,1,1-trichloroethane 3.15
    2-aminoethanol 66.32
    morpholine-4-carbaldehyde 276.26
    sulfolane 161.4
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 40.93
    n-hexyl acetate 10.41
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 68.13
    sec-butyl acetate 8.69
    tert-butyl acetate 18.94
    decalin 0.2
    glycerin 118.66
    diglyme 142.76
    acrylic acid 51.77
    isopropyl myristate 4.3
    n-butyric acid 37.91
    acetyl acetate 16.61
    di(2-ethylhexyl) phthalate 9.1
    ethyl propionate 13.54
    nitromethane 207.14
    1,2-diethoxyethane 21.62
    benzonitrile 11.17
    trioctyl phosphate 5.37
    1-bromopropane 1.64
    gamma-valerolactone 199.49
    n-decanol 3.05
    triethyl phosphate 10.53
    4-methyl-2-pentanol 5.35
    propionitrile 9.67
    vinylene carbonate 43.64
    1,1,2-trichlorotrifluoroethane 113.98
    DMS 22.76
    cumene 1.43
    2-octanol 2.63
    2-hexanone 10.11
    octyl acetate 6.16
    limonene 2.17
    1,2-dimethoxyethane 140.34
    ethyl orthosilicate 9.62
    tributyl phosphate 6.91
    diacetone alcohol 53.43
    N,N-dimethylaniline 13.13
    acrylonitrile 22.04
    aniline 10.61
    1,3-propanediol 85.18
    bromobenzene 1.98
    dibromomethane 2.68
    1,1,2,2-tetrachloroethane 17.82
    2-methyl-cyclohexyl acetate 13.05
    tetrabutyl urea 11.75
    diisobutyl methanol 3.45
    2-phenylethanol 14.99
    styrene 1.78
    dioctyl adipate 10.34
    dimethyl sulfate 75.63
    ethyl butyrate 10.41
    methyl lactate 47.14
    butyl lactate 14.86
    diethyl carbonate 9.62
    propanediol butyl ether 36.76
    triethyl orthoformate 11.64
    p-tert-butyltoluene 1.84
    methyl 4-tert-butylbenzoate 24.41
    morpholine 125.81
    tert-butylamine 6.44
    n-dodecanol 2.19
    dimethoxymethane 140.24
    ethylene carbonate 33.49
    cyrene 59.92
    2-ethoxyethyl acetate 22.65
    2-ethylhexyl acetate 8.89
    1,2,4-trichlorobenzene 8.51
    4-methylpyridine 26.33
    dibutyl ether 3.64
    2,6-dimethyl-4-heptanol 3.45
    DEF 56.8
    dimethyl isosorbide 77.28
    tetrachloroethylene 11.32
    eugenol 29.09
    triacetin 26.34
    span 80 29.11
    1,4-butanediol 24.79
    1,1-dichloroethane 2.92
    2-methyl-1-pentanol 10.7
    methyl formate 104.93
    2-methyl-1-butanol 13.61
    n-decane 0.16
    butyronitrile 7.22
    3,7-dimethyl-1-octanol 4.87
    1-chlorooctane 0.88
    1-chlorotetradecane 0.45
    n-nonane 0.12
    undecane 0.13
    tert-butylcyclohexane 0.18
    cyclooctane 0.07
    cyclopentanol 21.69
    tetrahydropyran 21.32
    tert-amyl methyl ether 10.07
    2,5,8-trioxanonane 95.69
    1-hexene 0.44
    2-isopropoxyethanol 48.23
    2,2,2-trifluoroethanol 53.25
    methyl butyrate 21.14

    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