Erinapyrone C

Overview IFRA Request a quote

  • Identifiers

    CAS number
    157207-53-9

    Molecular formula
    C8H10O5

    SMILES
    CC(C12C(O1)OC(=CC2=O)CO)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.8%
    Caramellic 38.22%
    Sweet 36.23%
    Buttery 33.12%
    Roasted 28.35%
    Savory 25.19%
    Milky 23.35%
    Nutty 21.57%
    Burnt 21.42%
    Creamy 19.78%

     

    Flavor
    Bitter 59.89%
    Odorless 28.43%
    Very mild 26.83%
    Sweet-like 23.54%
    Bland 21.12%
    Cotton candy 20.58%
    Extremely sweet 20.37%
    Seedy 20.34%
    Fatty 20.27%
    Fenugreek 20.06%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.9

    pKa est.
    6.79 (neutral)

    Molecular weight
    186.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    462°C

    Melting point expt.

    • 72 °C

    Flash point

    • 180.57 ˚C est.

  • Synonyms

    • Erinapyrone C
    • 6-(1-HYDROXYETHYL)-3-(HYDROXYMETHYL)-2,7-DIOXABICYCLO[4.1.0]HEPT-3-EN-5-ONE
    • CHEBI:168041
    • DTXSID601138644
    • 2,7-Dioxabicyclo[4.1.0]hept-3-en-5-one, 6-(1-hydroxyethyl)-3-(hydroxymethyl)-
    • 5,6-Epoxy-5,6-dihydro-5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one
    • 6-(1-Hydroxyethyl)-3-(hydroxymethyl)-2,7-dioxabicyclo[4.1.0]hept-3-en-5-one, 9CI
    • 157207-53-9
    • 157207-53-9

  • Applications

    Erinapyrone C (CAS 157207-53-9) is a small lactone-containing compound that is primarily considered as a chemical building block for synthetic routes. In practice, it may be used as an intermediate in organic synthesis and as a precursor for related compounds; it may be evaluated for fragrance-related applications in perfumery and cosmetics, potentially contributing as a minor odorant or flavor-type note in specialized formulations. It could find use in household and cleaning product formulations as a processing aid or specialty ingredient, subject to formulation limits and regulatory requirements. In industrial manufacturing, it may serve as a specialty building block or additive in polymer and coatings chemistries, depending on its reactivity and compatibility. Its use should be guided by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.59
    methanol 54.99
    isopropanol 10.22
    water 9.99
    ethyl acetate 9.57
    n-propanol 9.09
    acetone 22.06
    n-butanol 9.88
    acetonitrile 17.76
    DMF 99.47
    toluene 0.97
    isobutanol 5.89
    1,4-dioxane 23.44
    methyl acetate 12.76
    THF 28.12
    2-butanone 12.9
    n-pentanol 7.33
    sec-butanol 7.78
    n-hexane 0.14
    ethylene glycol 39.73
    NMP 76.91
    cyclohexane 0.55
    DMSO 206.06
    n-butyl acetate 5.38
    n-octanol 4.58
    chloroform 4.23
    n-propyl acetate 7.56
    acetic acid 38.23
    dichloromethane 8.06
    cyclohexanone 22.28
    propylene glycol 17.36
    isopropyl acetate 6.1
    DMAc 89.88
    2-ethoxyethanol 47.0
    isopentanol 9.28
    n-heptane 0.34
    ethyl formate 17.01
    1,2-dichloroethane 7.05
    n-hexanol 6.2
    2-methoxyethanol 87.41
    isobutyl acetate 3.55
    tetrachloromethane 1.2
    n-pentyl acetate 4.4
    transcutol 47.87
    n-heptanol 4.48
    ethylbenzene 1.05
    MIBK 8.38
    2-propoxyethanol 28.31
    tert-butanol 12.55
    MTBE 3.65
    2-butoxyethanol 17.31
    propionic acid 15.15
    o-xylene 1.59
    formic acid 116.22
    diethyl ether 4.49
    m-xylene 1.19
    p-xylene 1.6
    chlorobenzene 1.92
    dimethyl carbonate 12.63
    n-octane 0.18
    formamide 165.93
    cyclopentanone 27.5
    2-pentanone 11.26
    anisole 5.77
    cyclopentyl methyl ether 7.63
    gamma-butyrolactone 37.47
    1-methoxy-2-propanol 41.93
    pyridine 11.25
    3-pentanone 7.57
    furfural 47.06
    n-dodecane 0.21
    diethylene glycol 56.09
    diisopropyl ether 1.38
    tert-amyl alcohol 9.69
    acetylacetone 18.54
    n-hexadecane 0.24
    acetophenone 10.72
    methyl propionate 12.1
    isopentyl acetate 5.21
    trichloroethylene 10.3
    n-nonanol 4.54
    cyclohexanol 9.57
    benzyl alcohol 10.54
    2-ethylhexanol 3.96
    isooctanol 3.79
    dipropyl ether 3.05
    1,2-dichlorobenzene 2.76
    ethyl lactate 13.8
    propylene carbonate 19.0
    n-methylformamide 60.91
    2-pentanol 5.37
    n-pentane 0.22
    1-propoxy-2-propanol 15.3
    1-methoxy-2-propyl acetate 11.54
    2-(2-methoxypropoxy) propanol 20.15
    mesitylene 0.99
    ε-caprolactone 21.71
    p-cymene 1.5
    epichlorohydrin 31.51
    1,1,1-trichloroethane 2.67
    2-aminoethanol 30.12
    morpholine-4-carbaldehyde 71.03
    sulfolane 65.7
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 12.84
    n-hexyl acetate 6.65
    isooctane 0.13
    2-(2-butoxyethoxy)ethanol 23.69
    sec-butyl acetate 4.25
    tert-butyl acetate 6.95
    decalin 0.3
    glycerin 56.01
    diglyme 43.68
    acrylic acid 21.22
    isopropyl myristate 2.95
    n-butyric acid 15.77
    acetyl acetate 8.86
    di(2-ethylhexyl) phthalate 5.75
    ethyl propionate 7.21
    nitromethane 73.54
    1,2-diethoxyethane 7.31
    benzonitrile 8.0
    trioctyl phosphate 4.35
    1-bromopropane 1.88
    gamma-valerolactone 51.22
    n-decanol 3.45
    triethyl phosphate 5.87
    4-methyl-2-pentanol 3.93
    propionitrile 8.2
    vinylene carbonate 18.86
    1,1,2-trichlorotrifluoroethane 44.26
    DMS 7.81
    cumene 1.04
    2-octanol 2.79
    2-hexanone 7.59
    octyl acetate 4.36
    limonene 2.15
    1,2-dimethoxyethane 49.01
    ethyl orthosilicate 4.77
    tributyl phosphate 4.48
    diacetone alcohol 20.25
    N,N-dimethylaniline 5.33
    acrylonitrile 16.24
    aniline 5.22
    1,3-propanediol 37.35
    bromobenzene 1.29
    dibromomethane 3.57
    1,1,2,2-tetrachloroethane 8.51
    2-methyl-cyclohexyl acetate 6.63
    tetrabutyl urea 7.6
    diisobutyl methanol 2.69
    2-phenylethanol 9.05
    styrene 1.15
    dioctyl adipate 5.98
    dimethyl sulfate 28.99
    ethyl butyrate 6.12
    methyl lactate 23.85
    butyl lactate 8.21
    diethyl carbonate 5.52
    propanediol butyl ether 17.74
    triethyl orthoformate 5.35
    p-tert-butyltoluene 1.31
    methyl 4-tert-butylbenzoate 11.56
    morpholine 32.39
    tert-butylamine 3.99
    n-dodecanol 2.61
    dimethoxymethane 38.69
    ethylene carbonate 14.84
    cyrene 31.91
    2-ethoxyethyl acetate 8.7
    2-ethylhexyl acetate 3.93
    1,2,4-trichlorobenzene 4.04
    4-methylpyridine 8.89
    dibutyl ether 2.49
    2,6-dimethyl-4-heptanol 2.69
    DEF 24.14
    dimethyl isosorbide 27.42
    tetrachloroethylene 6.86
    eugenol 14.93
    triacetin 11.04
    span 80 12.79
    1,4-butanediol 19.09
    1,1-dichloroethane 2.89
    2-methyl-1-pentanol 6.98
    methyl formate 46.39
    2-methyl-1-butanol 7.6
    n-decane 0.31
    butyronitrile 8.89
    3,7-dimethyl-1-octanol 4.33
    1-chlorooctane 1.3
    1-chlorotetradecane 0.67
    n-nonane 0.25
    undecane 0.25
    tert-butylcyclohexane 0.2
    cyclooctane 0.27
    cyclopentanol 11.04
    tetrahydropyran 8.99
    tert-amyl methyl ether 4.46
    2,5,8-trioxanonane 34.02
    1-hexene 0.56
    2-isopropoxyethanol 23.12
    2,2,2-trifluoroethanol 31.73
    methyl butyrate 11.0

    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