Erinapyrone B

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  • Identifiers

    CAS number
    146064-67-7

    Molecular formula
    C7H10O3

    SMILES
    CC1=CC(=O)C[C@@H](O1)CO

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 71.9%
    Sweet 62.85%
    Nutty 50.65%
    Buttery 49.1%
    Roasted 46.66%
    Burnt 41.85%
    Creamy 33.96%
    Coumarinic 31.21%
    Coconut 29.52%
    Lactonic 27.56%

     

    Flavor
    Caramel 57.1%
    Sweet 38.02%
    Fruity 32.74%
    Maple 30.51%
    Fatty 27.37%
    Sugar 27.05%
    Spice 26.67%
    Buttery 26.54%
    Bread 23.19%
    Nutty 23.16%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    7.9 (neutral)

    Molecular weight
    142.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    314°C

    Flash point

    • 110.52 ˚C est.

  • Synonyms

    • ERINAPYRONE B
    • (2R)-2-(hydroxymethyl)-6-methyl-2,3-dihydropyran-4-one
    • CHEBI:184477
    • DTXSID001194595
    • 146064-67-7
    • (2R)-2,3-Dihydro-2-(hydroxymethyl)-6-methyl-4H-pyran-4-one
    • (2R)-2-(Hydroxymethyl)-6-methyl-2,3-dihydro-4H-pyran-4-one
    • 146064-67-7

  • Applications

    Erinapyrone B may serve as a chemical intermediate and building block in organic synthesis, enabling access to a range of specialty compounds for research and development. It is evaluated for potential use in fragrance applications as an odorant or fragrance component, and it may be considered for cosmetics/personal care formulations in similar roles. In industrial manufacturing and coatings/inks, it can function as a processing aid or additive, depending on formulation constraints. In polymer and plastics workflows, Erinapyrone B can act as a reactive precursor or functional additive for niche resin systems. It may also be explored as a component in cleaning formulations, either as a solvent adjunct or auxiliary ingredient. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 210.46
    methanol 422.59
    isopropanol 131.56
    water 89.33
    ethyl acetate 100.03
    n-propanol 135.89
    acetone 228.43
    n-butanol 97.68
    acetonitrile 220.09
    DMF 669.46
    toluene 25.44
    isobutanol 85.52
    1,4-dioxane 198.07
    methyl acetate 116.7
    THF 236.09
    2-butanone 107.09
    n-pentanol 64.51
    sec-butanol 81.57
    n-hexane 3.56
    ethylene glycol 239.12
    NMP 359.69
    cyclohexane 2.3
    DMSO 750.09
    n-butyl acetate 36.99
    n-octanol 39.75
    chloroform 128.56
    n-propyl acetate 41.67
    acetic acid 237.98
    dichloromethane 181.38
    cyclohexanone 107.97
    propylene glycol 135.03
    isopropyl acetate 49.84
    DMAc 461.0
    2-ethoxyethanol 206.46
    isopentanol 70.8
    n-heptane 3.82
    ethyl formate 98.73
    1,2-dichloroethane 101.88
    n-hexanol 57.16
    2-methoxyethanol 419.59
    isobutyl acetate 28.09
    tetrachloromethane 19.98
    n-pentyl acetate 27.54
    transcutol 277.4
    n-heptanol 29.51
    ethylbenzene 14.89
    MIBK 58.27
    2-propoxyethanol 167.18
    tert-butanol 133.16
    MTBE 57.59
    2-butoxyethanol 73.53
    propionic acid 133.33
    o-xylene 24.17
    formic acid 309.08
    diethyl ether 67.85
    m-xylene 28.63
    p-xylene 18.71
    chlorobenzene 41.68
    dimethyl carbonate 66.07
    n-octane 2.13
    formamide 273.21
    cyclopentanone 181.22
    2-pentanone 95.39
    anisole 60.07
    cyclopentyl methyl ether 80.03
    gamma-butyrolactone 224.99
    1-methoxy-2-propanol 244.03
    pyridine 86.83
    3-pentanone 67.67
    furfural 228.75
    n-dodecane 2.88
    diethylene glycol 244.86
    diisopropyl ether 17.99
    tert-amyl alcohol 81.66
    acetylacetone 139.73
    n-hexadecane 3.16
    acetophenone 60.62
    methyl propionate 102.54
    isopentyl acetate 34.43
    trichloroethylene 150.63
    n-nonanol 33.65
    cyclohexanol 58.74
    benzyl alcohol 61.41
    2-ethylhexanol 29.33
    isooctanol 24.02
    dipropyl ether 32.47
    1,2-dichlorobenzene 44.59
    ethyl lactate 53.86
    propylene carbonate 98.92
    n-methylformamide 306.7
    2-pentanol 53.16
    n-pentane 3.63
    1-propoxy-2-propanol 90.1
    1-methoxy-2-propyl acetate 67.35
    2-(2-methoxypropoxy) propanol 89.81
    mesitylene 19.68
    ε-caprolactone 96.94
    p-cymene 16.11
    epichlorohydrin 214.54
    1,1,1-trichloroethane 65.08
    2-aminoethanol 216.15
    morpholine-4-carbaldehyde 348.33
    sulfolane 290.13
    2,2,4-trimethylpentane 3.39
    2-methyltetrahydrofuran 115.26
    n-hexyl acetate 46.4
    isooctane 2.98
    2-(2-butoxyethoxy)ethanol 106.2
    sec-butyl acetate 29.48
    tert-butyl acetate 54.15
    decalin 3.82
    glycerin 261.58
    diglyme 184.01
    acrylic acid 152.08
    isopropyl myristate 24.37
    n-butyric acid 106.3
    acetyl acetate 70.08
    di(2-ethylhexyl) phthalate 30.77
    ethyl propionate 49.48
    nitromethane 409.17
    1,2-diethoxyethane 56.71
    benzonitrile 69.15
    trioctyl phosphate 24.27
    1-bromopropane 44.86
    gamma-valerolactone 246.35
    n-decanol 25.88
    triethyl phosphate 32.82
    4-methyl-2-pentanol 34.68
    propionitrile 110.82
    vinylene carbonate 99.35
    1,1,2-trichlorotrifluoroethane 180.5
    DMS 51.42
    cumene 15.68
    2-octanol 21.43
    2-hexanone 48.22
    octyl acetate 31.13
    limonene 21.16
    1,2-dimethoxyethane 240.8
    ethyl orthosilicate 29.71
    tributyl phosphate 28.33
    diacetone alcohol 97.03
    N,N-dimethylaniline 52.18
    acrylonitrile 151.8
    aniline 57.74
    1,3-propanediol 205.18
    bromobenzene 33.62
    dibromomethane 91.76
    1,1,2,2-tetrachloroethane 108.56
    2-methyl-cyclohexyl acetate 35.5
    tetrabutyl urea 41.59
    diisobutyl methanol 21.73
    2-phenylethanol 51.1
    styrene 17.74
    dioctyl adipate 38.7
    dimethyl sulfate 149.61
    ethyl butyrate 38.57
    methyl lactate 103.44
    butyl lactate 36.26
    diethyl carbonate 31.61
    propanediol butyl ether 79.35
    triethyl orthoformate 32.97
    p-tert-butyltoluene 16.3
    methyl 4-tert-butylbenzoate 62.35
    morpholine 201.11
    tert-butylamine 59.2
    n-dodecanol 20.72
    dimethoxymethane 257.18
    ethylene carbonate 74.96
    cyrene 96.76
    2-ethoxyethyl acetate 45.65
    2-ethylhexyl acetate 25.98
    1,2,4-trichlorobenzene 52.96
    4-methylpyridine 97.7
    dibutyl ether 27.95
    2,6-dimethyl-4-heptanol 21.73
    DEF 144.12
    dimethyl isosorbide 126.78
    tetrachloroethylene 70.15
    eugenol 70.6
    triacetin 59.8
    span 80 62.46
    1,4-butanediol 104.53
    1,1-dichloroethane 82.68
    2-methyl-1-pentanol 50.57
    methyl formate 227.03
    2-methyl-1-butanol 66.4
    n-decane 4.22
    butyronitrile 90.0
    3,7-dimethyl-1-octanol 35.7
    1-chlorooctane 18.49
    1-chlorotetradecane 8.92
    n-nonane 3.81
    undecane 3.41
    tert-butylcyclohexane 4.59
    cyclooctane 1.69
    cyclopentanol 81.61
    tetrahydropyran 79.46
    tert-amyl methyl ether 48.25
    2,5,8-trioxanonane 149.5
    1-hexene 13.65
    2-isopropoxyethanol 107.79
    2,2,2-trifluoroethanol 135.2
    methyl butyrate 62.11

    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