(6S)-4-Methoxy-6-[2-(4-methoxyphenyl)ethyl]-5,6-dihydro-2H-pyran-2-one

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  • Identifiers

    CAS number
    49776-58-1

    Molecular formula
    C15H18O4

    SMILES
    COC1=CC(=O)O[C@H](C1)CCC2=CC=C(C=C2)OC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 72.77%
    Spicy 52.6%
    Floral 51.34%
    Herbal 42.58%
    Coumarinic 39.64%
    Vanilla 37.23%
    Coconut 35.16%
    Creamy 33.98%
    Balsamic 33.6%
    Hay 32.37%

     

    Flavor
    Sweet 43.59%
    Floral 42.31%
    Herbal 40.88%
    Balsam 38.04%
    Bitter 31.58%
    Fruity 30.99%
    Coconut 29.42%
    Spice 28.78%
    Minty 28.14%
    Tonka 26.19%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.12 (neutral)

    Molecular weight
    262.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    595°C

    Flash point

    • 157.38 ˚C est.

  • Synonyms

    • DTXSID001155187
    • (6S)-4-Methoxy-6-[2-(4-methoxyphenyl)ethyl]-5,6-dihydro-2H-pyran-2-one
    • (6S)-5,6-Dihydro-4-methoxy-6-[2-(4-methoxyphenyl)ethyl]-2H-pyran-2-one
    • 49776-58-1
    • 49776-58-1

  • Applications

    For the compound (6S)-4-Methoxy-6-[2-(4-methoxyphenyl)ethyl]-5,6-dihydro-2H-pyran-2-one, CAS 49776-58-1, this chiral gamma-lactone derivative is commonly evaluated for use in fragrance and odorant applications as an aroma ingredient and as a versatile building block in organic synthesis. It may serve as an intermediate in the preparation of pharmaceutical or agrochemical molecules and related research, development, and production efforts. In cosmetics and personal care, it can function as a fragrance component or contributing constituent in formulated products. In industrial manufacturing, it is considered a specialty intermediate that can be used to access functional lactone derivatives for polymers, plastics, coatings, and inks where lactone functionality is beneficial.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 79.84
    methanol 107.86
    isopropanol 57.32
    water 0.07
    ethyl acetate 131.0
    n-propanol 56.08
    acetone 139.88
    n-butanol 40.69
    acetonitrile 146.33
    DMF 129.31
    toluene 50.8
    isobutanol 30.46
    1,4-dioxane 332.69
    methyl acetate 127.21
    THF 345.58
    2-butanone 118.97
    n-pentanol 29.93
    sec-butanol 31.62
    n-hexane 0.38
    ethylene glycol 31.75
    NMP 64.87
    cyclohexane 1.98
    DMSO 598.85
    n-butyl acetate 35.14
    n-octanol 8.02
    chloroform 514.32
    n-propyl acetate 44.93
    acetic acid 105.68
    dichloromethane 562.0
    cyclohexanone 115.13
    propylene glycol 56.66
    isopropyl acetate 48.84
    DMAc 260.07
    2-ethoxyethanol 160.03
    isopentanol 29.14
    n-heptane 0.59
    ethyl formate 59.41
    1,2-dichloroethane 315.78
    n-hexanol 19.02
    2-methoxyethanol 284.97
    isobutyl acetate 26.32
    tetrachloromethane 16.33
    n-pentyl acetate 14.43
    transcutol 372.88
    n-heptanol 7.74
    ethylbenzene 17.63
    MIBK 36.17
    2-propoxyethanol 99.68
    tert-butanol 61.27
    MTBE 31.23
    2-butoxyethanol 37.0
    propionic acid 59.37
    o-xylene 23.54
    formic acid 50.72
    diethyl ether 47.61
    m-xylene 22.27
    p-xylene 21.62
    chlorobenzene 72.02
    dimethyl carbonate 47.75
    n-octane 0.4
    formamide 102.91
    cyclopentanone 141.78
    2-pentanone 68.53
    anisole 69.72
    cyclopentyl methyl ether 65.38
    gamma-butyrolactone 165.07
    1-methoxy-2-propanol 158.57
    pyridine 191.74
    3-pentanone 58.38
    furfural 178.27
    n-dodecane 0.67
    diethylene glycol 121.98
    diisopropyl ether 7.84
    tert-amyl alcohol 31.31
    acetylacetone 121.39
    n-hexadecane 0.8
    acetophenone 60.31
    methyl propionate 96.21
    isopentyl acetate 32.05
    trichloroethylene 499.83
    n-nonanol 9.05
    cyclohexanol 38.6
    benzyl alcohol 65.51
    2-ethylhexanol 11.78
    isooctanol 7.63
    dipropyl ether 17.19
    1,2-dichlorobenzene 59.18
    ethyl lactate 33.39
    propylene carbonate 68.57
    n-methylformamide 85.3
    2-pentanol 17.68
    n-pentane 0.36
    1-propoxy-2-propanol 52.94
    1-methoxy-2-propyl acetate 70.99
    2-(2-methoxypropoxy) propanol 62.47
    mesitylene 11.74
    ε-caprolactone 90.82
    p-cymene 10.3
    epichlorohydrin 369.21
    1,1,1-trichloroethane 131.74
    2-aminoethanol 60.53
    morpholine-4-carbaldehyde 164.75
    sulfolane 164.47
    2,2,4-trimethylpentane 0.69
    2-methyltetrahydrofuran 124.15
    n-hexyl acetate 23.89
    isooctane 0.53
    2-(2-butoxyethoxy)ethanol 83.38
    sec-butyl acetate 28.81
    tert-butyl acetate 46.47
    decalin 1.92
    glycerin 99.41
    diglyme 183.15
    acrylic acid 55.75
    isopropyl myristate 12.3
    n-butyric acid 74.56
    acetyl acetate 82.08
    di(2-ethylhexyl) phthalate 18.36
    ethyl propionate 46.29
    nitromethane 272.54
    1,2-diethoxyethane 80.64
    benzonitrile 63.36
    trioctyl phosphate 9.13
    1-bromopropane 73.21
    gamma-valerolactone 192.98
    n-decanol 7.6
    triethyl phosphate 24.81
    4-methyl-2-pentanol 10.48
    propionitrile 78.23
    vinylene carbonate 74.72
    1,1,2-trichlorotrifluoroethane 189.49
    DMS 47.64
    cumene 11.33
    2-octanol 4.7
    2-hexanone 38.22
    octyl acetate 14.88
    limonene 12.05
    1,2-dimethoxyethane 193.12
    ethyl orthosilicate 22.74
    tributyl phosphate 15.12
    diacetone alcohol 61.17
    N,N-dimethylaniline 34.87
    acrylonitrile 111.39
    aniline 88.75
    1,3-propanediol 106.92
    bromobenzene 76.65
    dibromomethane 268.86
    1,1,2,2-tetrachloroethane 357.0
    2-methyl-cyclohexyl acetate 32.1
    tetrabutyl urea 21.4
    diisobutyl methanol 8.73
    2-phenylethanol 42.98
    styrene 26.28
    dioctyl adipate 26.75
    dimethyl sulfate 82.13
    ethyl butyrate 34.52
    methyl lactate 54.64
    butyl lactate 19.62
    diethyl carbonate 32.55
    propanediol butyl ether 35.06
    triethyl orthoformate 30.23
    p-tert-butyltoluene 9.33
    methyl 4-tert-butylbenzoate 38.94
    morpholine 332.19
    tert-butylamine 18.33
    n-dodecanol 6.2
    dimethoxymethane 192.09
    ethylene carbonate 63.92
    cyrene 57.61
    2-ethoxyethyl acetate 45.46
    2-ethylhexyl acetate 24.67
    1,2,4-trichlorobenzene 76.46
    4-methylpyridine 124.92
    dibutyl ether 15.67
    2,6-dimethyl-4-heptanol 8.73
    DEF 72.4
    dimethyl isosorbide 103.47
    tetrachloroethylene 146.7
    eugenol 43.82
    triacetin 48.01
    span 80 33.2
    1,4-butanediol 38.57
    1,1-dichloroethane 199.94
    2-methyl-1-pentanol 23.77
    methyl formate 70.45
    2-methyl-1-butanol 24.12
    n-decane 0.96
    butyronitrile 61.02
    3,7-dimethyl-1-octanol 11.69
    1-chlorooctane 5.97
    1-chlorotetradecane 3.24
    n-nonane 0.73
    undecane 0.78
    tert-butylcyclohexane 1.45
    cyclooctane 0.68
    cyclopentanol 45.34
    tetrahydropyran 153.28
    tert-amyl methyl ether 22.56
    2,5,8-trioxanonane 139.38
    1-hexene 3.88
    2-isopropoxyethanol 76.5
    2,2,2-trifluoroethanol 41.22
    methyl butyrate 52.76

    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