Helipyrone

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  • Identifiers

    CAS number
    29902-01-0

    Molecular formula
    C17H20O6

    SMILES
    CCC1=C(C(=C(C(=O)O1)CC2=C(C(=C(OC2=O)CC)C)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 39.78%
    Burnt 36.72%
    Sweet 36.55%
    Caramellic 33.73%
    Fruity 32.66%
    Spicy 28.02%
    Dry 22.39%
    Creamy 21.95%
    Roasted 21.61%
    Smoky 21.13%

     

    Flavor
    Bitter 59.57%
    Odorless 21.58%
    Parsley 21.28%
    Cedarleaf 21.05%
    Eugenol 20.82%
    Bland 20.51%
    Lovage 20.2%
    Green pepper 20.16%
    Carrot 20.13%
    Thymol 20.03%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    7.36 (neutral)

    Molecular weight
    320.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1836°C

    Melting point expt.

    • 218 - 220 °C

    Flash point

    • 209.81 ˚C est.

  • Synonyms

    • helipyrone
    • 6-ethyl-3-[(6-ethyl-4-hydroxy-5-methyl-2-oxopyran-3-yl)methyl]-4-hydroxy-5-methylpyran-2-one
    • 6-ethyl-3-[(6-ethyl-4-hydroxy-5-methyl-2-oxo-2H-pyran-3-yl)methyl]-4-hydroxy-5-methyl-2H-pyran-2-one
    • 6-ethyl-3-((6-ethyl-4-hydroxy-5-methyl-2-oxo-2H-pyran-3-yl)methyl)-4-hydroxy-5-methyl-2H-pyran-2-one
    • 6-ethyl-3-((6-ethyl-4-hydroxy-5-methyl-2-oxopyran-3-yl)methyl)-4-hydroxy-5-methylpyran-2-one
    • RefChem:1086382
    • 29902-01-0
    • Helipyrone A
    • 3,3'-methylenebis(6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one)
    • C17H20O6
    • CHEMBL225422
    • SCHEMBL16416503
    • CHEBI:175087
    • DTXSID401184003
    • EBA90201
    • 3,3a(2)-Methylenebis[6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one]
    • 3,3'-Methylenebis[6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one], 9CI
    • 6-ethyl-3-[(6-ethyl-4-hydroxy-5-methyl-2-oxo-pyran-3-yl)methyl]-4-hydroxy-5-methyl-pyran-2-one
    • 29902-01-0

  • Applications

    Helipyrone (CAS 29902-01-0) is a lactone-derived compound used primarily as an odorant and fragrance intermediate in perfumery; it is commonly evaluated as a fragrance ingredient in cosmetics and personal care; it may appear in household and cleaning products as a fragrance component or solvent; it is used as a processing aid or intermediate in coatings, inks, and polymer formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.94
    methanol 12.27
    isopropanol 6.67
    water 0.05
    ethyl acetate 37.73
    n-propanol 8.72
    acetone 38.37
    n-butanol 7.71
    acetonitrile 13.65
    DMF 262.8
    toluene 10.31
    isobutanol 6.84
    1,4-dioxane 43.5
    methyl acetate 39.05
    THF 131.04
    2-butanone 43.39
    n-pentanol 6.51
    sec-butanol 9.05
    n-hexane 0.61
    ethylene glycol 4.25
    NMP 310.68
    cyclohexane 0.46
    DMSO 200.08
    n-butyl acetate 18.54
    n-octanol 1.69
    chloroform 68.53
    n-propyl acetate 17.55
    acetic acid 36.62
    dichloromethane 87.76
    cyclohexanone 62.7
    propylene glycol 5.76
    isopropyl acetate 22.83
    DMAc 255.51
    2-ethoxyethanol 26.66
    isopentanol 7.93
    n-heptane 0.41
    ethyl formate 18.13
    1,2-dichloroethane 65.45
    n-hexanol 5.56
    2-methoxyethanol 48.8
    isobutyl acetate 8.33
    tetrachloromethane 6.55
    n-pentyl acetate 13.17
    transcutol 46.59
    n-heptanol 3.69
    ethylbenzene 5.99
    MIBK 18.08
    2-propoxyethanol 36.46
    tert-butanol 12.46
    MTBE 17.05
    2-butoxyethanol 16.54
    propionic acid 26.81
    o-xylene 9.63
    formic acid 24.23
    diethyl ether 16.92
    m-xylene 7.59
    p-xylene 7.74
    chlorobenzene 22.68
    dimethyl carbonate 55.01
    n-octane 0.16
    formamide 61.58
    cyclopentanone 115.45
    2-pentanone 30.48
    anisole 22.69
    cyclopentyl methyl ether 34.81
    gamma-butyrolactone 182.82
    1-methoxy-2-propanol 42.04
    pyridine 64.4
    3-pentanone 35.47
    furfural 143.95
    n-dodecane 0.13
    diethylene glycol 28.95
    diisopropyl ether 5.04
    tert-amyl alcohol 14.28
    acetylacetone 59.26
    n-hexadecane 0.16
    acetophenone 31.58
    methyl propionate 53.81
    isopentyl acetate 17.37
    trichloroethylene 151.1
    n-nonanol 2.13
    cyclohexanol 10.28
    benzyl alcohol 17.55
    2-ethylhexanol 4.84
    isooctanol 3.56
    dipropyl ether 9.49
    1,2-dichlorobenzene 28.95
    ethyl lactate 15.86
    propylene carbonate 63.05
    n-methylformamide 68.93
    2-pentanol 6.27
    n-pentane 0.48
    1-propoxy-2-propanol 23.74
    1-methoxy-2-propyl acetate 42.73
    2-(2-methoxypropoxy) propanol 24.4
    mesitylene 4.38
    ε-caprolactone 67.0
    p-cymene 4.52
    epichlorohydrin 173.15
    1,1,1-trichloroethane 34.21
    2-aminoethanol 8.32
    morpholine-4-carbaldehyde 182.5
    sulfolane 278.67
    2,2,4-trimethylpentane 0.67
    2-methyltetrahydrofuran 52.62
    n-hexyl acetate 11.4
    isooctane 0.34
    2-(2-butoxyethoxy)ethanol 20.76
    sec-butyl acetate 12.75
    tert-butyl acetate 29.08
    decalin 0.75
    glycerin 18.89
    diglyme 62.47
    acrylic acid 40.36
    isopropyl myristate 4.98
    n-butyric acid 24.94
    acetyl acetate 31.4
    di(2-ethylhexyl) phthalate 9.93
    ethyl propionate 23.13
    nitromethane 130.08
    1,2-diethoxyethane 17.81
    benzonitrile 17.55
    trioctyl phosphate 5.24
    1-bromopropane 17.85
    gamma-valerolactone 174.6
    n-decanol 1.59
    triethyl phosphate 16.87
    4-methyl-2-pentanol 4.58
    propionitrile 16.37
    vinylene carbonate 62.95
    1,1,2-trichlorotrifluoroethane 112.03
    DMS 36.4
    cumene 4.35
    2-octanol 2.26
    2-hexanone 16.92
    octyl acetate 6.56
    limonene 6.09
    1,2-dimethoxyethane 56.38
    ethyl orthosilicate 14.65
    tributyl phosphate 7.22
    diacetone alcohol 33.42
    N,N-dimethylaniline 18.29
    acrylonitrile 32.69
    aniline 23.43
    1,3-propanediol 12.98
    bromobenzene 20.75
    dibromomethane 41.01
    1,1,2,2-tetrachloroethane 99.18
    2-methyl-cyclohexyl acetate 17.76
    tetrabutyl urea 11.75
    diisobutyl methanol 4.02
    2-phenylethanol 17.42
    styrene 7.03
    dioctyl adipate 12.09
    dimethyl sulfate 147.12
    ethyl butyrate 18.32
    methyl lactate 38.63
    butyl lactate 13.8
    diethyl carbonate 15.53
    propanediol butyl ether 10.26
    triethyl orthoformate 17.08
    p-tert-butyltoluene 4.63
    methyl 4-tert-butylbenzoate 32.55
    morpholine 61.58
    tert-butylamine 5.88
    n-dodecanol 1.22
    dimethoxymethane 96.52
    ethylene carbonate 43.26
    cyrene 45.95
    2-ethoxyethyl acetate 29.11
    2-ethylhexyl acetate 14.03
    1,2,4-trichlorobenzene 43.15
    4-methylpyridine 55.29
    dibutyl ether 3.74
    2,6-dimethyl-4-heptanol 4.02
    DEF 68.13
    dimethyl isosorbide 63.93
    tetrachloroethylene 56.57
    eugenol 25.88
    triacetin 28.81
    span 80 15.18
    1,4-butanediol 5.77
    1,1-dichloroethane 34.54
    2-methyl-1-pentanol 7.55
    methyl formate 52.43
    2-methyl-1-butanol 8.63
    n-decane 0.22
    butyronitrile 11.51
    3,7-dimethyl-1-octanol 2.85
    1-chlorooctane 1.45
    1-chlorotetradecane 0.69
    n-nonane 0.17
    undecane 0.16
    tert-butylcyclohexane 0.71
    cyclooctane 0.23
    cyclopentanol 17.05
    tetrahydropyran 24.95
    tert-amyl methyl ether 17.77
    2,5,8-trioxanonane 43.03
    1-hexene 2.79
    2-isopropoxyethanol 18.12
    2,2,2-trifluoroethanol 30.51
    methyl butyrate 26.12

    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