Erinapyrone A

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  • Identifiers

    CAS number
    146064-66-6

    Molecular formula
    C7H10O3

    SMILES
    C[C@H]1CC(=O)C=C(O1)CO

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 76.51%
    Sweet 68.35%
    Nutty 52.54%
    Buttery 52.23%
    Roasted 46.03%
    Burnt 43.96%
    Coumarinic 36.63%
    Creamy 34.48%
    Coconut 32.75%
    Lactonic 30.71%

     

    Flavor
    Caramel 60.09%
    Sweet 48.0%
    Maple 33.57%
    Fruity 29.73%
    Sugar 29.05%
    Bread 27.42%
    Buttery 27.4%
    Spice 27.22%
    Nutty 25.44%
    Fatty 25.44%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.5

    pKa est.
    8.12 (weak base)

    Molecular weight
    142.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    290°C

    Flash point

    • 111.28 ˚C est.

  • Synonyms

    • Erinapyrone A
    • 146064-66-6
    • (2S)-6-(hydroxymethyl)-2-methyl-2,3-dihydropyran-4-one
    • 4H-Pyran-4-one, 2,3-dihydro-6-(hydroxymethyl)-2-methyl-, (2S)- (9CI)
    • CHEBI:184226
    • DTXSID901192334
    • (2S)-2,3-Dihydro-6-(hydroxymethyl)-2-methyl-4H-pyran-4-one
    • (2S)-6-(Hydroxymethyl)-2-methyl-2,3-dihydro-4H-pyran-4-one
    • 146064-66-6

  • Applications

    Erinapyrone A (CAS 146064-66-6) may be used as a fragrance ingredient or odorant in perfumery and cosmetic formulations. It is also evaluated as a synthetic intermediate for pharmaceutical research and the development of specialty chemicals in the chemical industry. In industrial manufacturing, Erinapyrone A (CAS 146064-66-6) can serve as a building block for the synthesis of specialty compounds used in various production processes. Additionally, it may be employed as an analytical reference standard or a starting material in method development and quality control, subject to applicable regulations and formulation objectives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 170.63
    methanol 349.75
    isopropanol 102.28
    water 43.43
    ethyl acetate 89.18
    n-propanol 108.2
    acetone 205.96
    n-butanol 80.76
    acetonitrile 193.25
    DMF 544.83
    toluene 22.75
    isobutanol 66.46
    1,4-dioxane 186.7
    methyl acetate 98.65
    THF 238.82
    2-butanone 91.71
    n-pentanol 55.32
    sec-butanol 63.06
    n-hexane 3.06
    ethylene glycol 198.38
    NMP 314.99
    cyclohexane 2.05
    DMSO 713.06
    n-butyl acetate 38.58
    n-octanol 37.71
    chloroform 112.56
    n-propyl acetate 39.58
    acetic acid 213.1
    dichloromethane 161.6
    cyclohexanone 100.72
    propylene glycol 106.99
    isopropyl acetate 46.58
    DMAc 365.62
    2-ethoxyethanol 163.42
    isopentanol 60.79
    n-heptane 3.54
    ethyl formate 87.17
    1,2-dichloroethane 96.33
    n-hexanol 56.64
    2-methoxyethanol 341.7
    isobutyl acetate 27.52
    tetrachloromethane 16.67
    n-pentyl acetate 27.98
    transcutol 254.94
    n-heptanol 27.98
    ethylbenzene 14.3
    MIBK 56.56
    2-propoxyethanol 155.66
    tert-butanol 109.19
    MTBE 49.87
    2-butoxyethanol 67.46
    propionic acid 113.75
    o-xylene 22.33
    formic acid 247.24
    diethyl ether 59.77
    m-xylene 26.58
    p-xylene 17.78
    chlorobenzene 41.33
    dimethyl carbonate 60.26
    n-octane 1.96
    formamide 213.59
    cyclopentanone 175.17
    2-pentanone 85.81
    anisole 55.43
    cyclopentyl methyl ether 74.51
    gamma-butyrolactone 222.99
    1-methoxy-2-propanol 203.67
    pyridine 81.57
    3-pentanone 61.27
    furfural 211.89
    n-dodecane 2.82
    diethylene glycol 225.96
    diisopropyl ether 16.73
    tert-amyl alcohol 67.72
    acetylacetone 133.7
    n-hexadecane 3.1
    acetophenone 57.05
    methyl propionate 89.33
    isopentyl acetate 35.85
    trichloroethylene 137.77
    n-nonanol 31.74
    cyclohexanol 50.36
    benzyl alcohol 55.68
    2-ethylhexanol 29.48
    isooctanol 23.17
    dipropyl ether 31.54
    1,2-dichlorobenzene 44.43
    ethyl lactate 51.04
    propylene carbonate 97.44
    n-methylformamide 247.56
    2-pentanol 44.49
    n-pentane 3.04
    1-propoxy-2-propanol 87.35
    1-methoxy-2-propyl acetate 68.13
    2-(2-methoxypropoxy) propanol 85.94
    mesitylene 18.63
    ε-caprolactone 90.88
    p-cymene 16.48
    epichlorohydrin 199.92
    1,1,1-trichloroethane 59.91
    2-aminoethanol 167.96
    morpholine-4-carbaldehyde 299.64
    sulfolane 291.79
    2,2,4-trimethylpentane 3.08
    2-methyltetrahydrofuran 108.51
    n-hexyl acetate 45.67
    isooctane 2.89
    2-(2-butoxyethoxy)ethanol 101.73
    sec-butyl acetate 28.19
    tert-butyl acetate 53.63
    decalin 3.68
    glycerin 218.54
    diglyme 169.89
    acrylic acid 134.48
    isopropyl myristate 24.43
    n-butyric acid 96.73
    acetyl acetate 66.75
    di(2-ethylhexyl) phthalate 31.41
    ethyl propionate 47.08
    nitromethane 355.57
    1,2-diethoxyethane 53.77
    benzonitrile 65.35
    trioctyl phosphate 24.53
    1-bromopropane 41.45
    gamma-valerolactone 226.44
    n-decanol 24.56
    triethyl phosphate 33.06
    4-methyl-2-pentanol 31.53
    propionitrile 94.38
    vinylene carbonate 94.7
    1,1,2-trichlorotrifluoroethane 164.34
    DMS 51.37
    cumene 15.03
    2-octanol 20.42
    2-hexanone 45.6
    octyl acetate 31.18
    limonene 20.96
    1,2-dimethoxyethane 206.43
    ethyl orthosilicate 29.41
    tributyl phosphate 28.71
    diacetone alcohol 91.23
    N,N-dimethylaniline 47.08
    acrylonitrile 135.54
    aniline 50.25
    1,3-propanediol 166.59
    bromobenzene 34.35
    dibromomethane 84.66
    1,1,2,2-tetrachloroethane 99.51
    2-methyl-cyclohexyl acetate 36.61
    tetrabutyl urea 41.21
    diisobutyl methanol 22.07
    2-phenylethanol 51.04
    styrene 17.18
    dioctyl adipate 39.17
    dimethyl sulfate 137.67
    ethyl butyrate 39.3
    methyl lactate 91.4
    butyl lactate 35.6
    diethyl carbonate 32.29
    propanediol butyl ether 73.74
    triethyl orthoformate 32.76
    p-tert-butyltoluene 16.46
    methyl 4-tert-butylbenzoate 61.01
    morpholine 175.42
    tert-butylamine 49.21
    n-dodecanol 19.85
    dimethoxymethane 227.2
    ethylene carbonate 72.08
    cyrene 91.64
    2-ethoxyethyl acetate 45.28
    2-ethylhexyl acetate 26.6
    1,2,4-trichlorobenzene 51.65
    4-methylpyridine 86.51
    dibutyl ether 26.62
    2,6-dimethyl-4-heptanol 22.07
    DEF 122.08
    dimethyl isosorbide 124.23
    tetrachloroethylene 65.12
    eugenol 67.63
    triacetin 57.51
    span 80 60.41
    1,4-butanediol 85.0
    1,1-dichloroethane 71.74
    2-methyl-1-pentanol 45.03
    methyl formate 193.41
    2-methyl-1-butanol 54.54
    n-decane 4.05
    butyronitrile 79.93
    3,7-dimethyl-1-octanol 34.41
    1-chlorooctane 18.36
    1-chlorotetradecane 8.92
    n-nonane 3.64
    undecane 3.32
    tert-butylcyclohexane 4.43
    cyclooctane 1.56
    cyclopentanol 72.48
    tetrahydropyran 74.98
    tert-amyl methyl ether 42.02
    2,5,8-trioxanonane 140.61
    1-hexene 12.46
    2-isopropoxyethanol 92.01
    2,2,2-trifluoroethanol 113.41
    methyl butyrate 58.07

    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