Heliannuol A

Overview IFRA Request a quote

  • Identifiers

    CAS number
    148054-17-5

    Molecular formula
    C15H22O3

    SMILES
    C[C@@H]1CC[C@@H](C(OC2=C1C=C(C(=C2)C)O)(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 69.34%
    Sweet 65.44%
    Spicy 48.71%
    Smoky 47.01%
    Woody 46.62%
    Vanilla 41.86%
    Medicinal 40.84%
    Leathery 35.54%
    Balsamic 33.25%
    Powdery 32.99%

     

    Flavor
    Bitter 43.62%
    Woody 42.6%
    Sweet 42.17%
    Phenolic 41.39%
    Medicinal 37.15%
    Spicy 34.31%
    Spice 32.45%
    Camphor 32.08%
    Smoky 32.07%
    Powdery 29.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    9.44 (weak base)

    Molecular weight
    250.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    465°C

    Flash point

    • 202.26 ˚C est.

  • Synonyms

    • Heliannuol A
    • (3S,6R)-2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-1-benzoxocine-3,8-diol
    • RefChem:922768
    • SCHEMBL30852940
    • CHEBI:174308
    • DTXSID801152632
    • (3S,6R)-2,2,6,9-tetramethyl-3,4,5,6-tetrahydro-2H-1-benzoxocine-3,8-diol
    • 148054-17-5
    • (3S,6R)-3,4,5,6-Tetrahydro-2,2,6,9-tetramethyl-2H-1-benzoxocin-3,8-diol
    • 148054-17-5

  • Applications

    Heliannuol A, CAS 148054-17-5, is considered a potential intermediate and component in organic synthesis, and is evaluated for several practical and research applications. In industry, it may be used as a component in fragrance and cosmetic formulations, as a chemical intermediate for the synthesis of more complex organic compounds, and as a scaffold for pharmaceutical or biochemical lead compounds. It also may be considered for inclusion in household products and cleaning formulations as a fragrance-related additive or formulation stabilizer, and could be explored in polymers/plastics as a precursor or modifier depending on its reactivity, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 237.12
    methanol 297.55
    isopropanol 153.4
    water 1.3
    ethyl acetate 103.56
    n-propanol 159.46
    acetone 190.58
    n-butanol 128.05
    acetonitrile 70.46
    DMF 247.05
    toluene 63.13
    isobutanol 112.47
    1,4-dioxane 368.45
    methyl acetate 127.23
    THF 482.39
    2-butanone 166.11
    n-pentanol 120.1
    sec-butanol 113.0
    n-hexane 5.25
    ethylene glycol 59.18
    NMP 148.21
    cyclohexane 11.11
    DMSO 306.9
    n-butyl acetate 154.09
    n-octanol 86.09
    chloroform 247.98
    n-propyl acetate 120.26
    acetic acid 136.09
    dichloromethane 201.22
    cyclohexanone 179.04
    propylene glycol 67.13
    isopropyl acetate 78.68
    DMAc 223.16
    2-ethoxyethanol 224.66
    isopentanol 111.34
    n-heptane 8.21
    ethyl formate 112.96
    1,2-dichloroethane 115.83
    n-hexanol 150.72
    2-methoxyethanol 248.19
    isobutyl acetate 102.08
    tetrachloromethane 30.2
    n-pentyl acetate 115.69
    transcutol 397.74
    n-heptanol 103.59
    ethylbenzene 56.19
    MIBK 82.79
    2-propoxyethanol 245.08
    tert-butanol 153.97
    MTBE 110.29
    2-butoxyethanol 172.4
    propionic acid 93.09
    o-xylene 49.99
    formic acid 71.08
    diethyl ether 94.24
    m-xylene 52.16
    p-xylene 74.55
    chlorobenzene 79.87
    dimethyl carbonate 51.9
    n-octane 6.58
    formamide 114.98
    cyclopentanone 218.56
    2-pentanone 106.24
    anisole 113.0
    cyclopentyl methyl ether 110.41
    gamma-butyrolactone 222.24
    1-methoxy-2-propanol 171.07
    pyridine 179.32
    3-pentanone 73.6
    furfural 210.81
    n-dodecane 7.09
    diethylene glycol 203.76
    diisopropyl ether 31.69
    tert-amyl alcohol 116.26
    acetylacetone 125.6
    n-hexadecane 7.91
    acetophenone 111.07
    methyl propionate 82.58
    isopentyl acetate 147.45
    trichloroethylene 208.84
    n-nonanol 79.54
    cyclohexanol 91.55
    benzyl alcohol 124.47
    2-ethylhexanol 90.21
    isooctanol 85.31
    dipropyl ether 65.57
    1,2-dichlorobenzene 74.08
    ethyl lactate 72.4
    propylene carbonate 136.52
    n-methylformamide 124.65
    2-pentanol 72.92
    n-pentane 4.83
    1-propoxy-2-propanol 155.76
    1-methoxy-2-propyl acetate 134.92
    2-(2-methoxypropoxy) propanol 137.52
    mesitylene 34.4
    ε-caprolactone 164.07
    p-cymene 44.84
    epichlorohydrin 239.0
    1,1,1-trichloroethane 82.35
    2-aminoethanol 102.53
    morpholine-4-carbaldehyde 243.22
    sulfolane 210.25
    2,2,4-trimethylpentane 7.16
    2-methyltetrahydrofuran 216.77
    n-hexyl acetate 127.39
    isooctane 6.4
    2-(2-butoxyethoxy)ethanol 194.85
    sec-butyl acetate 82.2
    tert-butyl acetate 87.75
    decalin 11.9
    glycerin 94.3
    diglyme 298.36
    acrylic acid 80.64
    isopropyl myristate 58.62
    n-butyric acid 115.46
    acetyl acetate 78.01
    di(2-ethylhexyl) phthalate 68.93
    ethyl propionate 74.63
    nitromethane 183.26
    1,2-diethoxyethane 155.2
    benzonitrile 115.91
    trioctyl phosphate 56.78
    1-bromopropane 59.91
    gamma-valerolactone 286.56
    n-decanol 62.56
    triethyl phosphate 58.04
    4-methyl-2-pentanol 59.6
    propionitrile 67.89
    vinylene carbonate 140.98
    1,1,2-trichlorotrifluoroethane 156.94
    DMS 94.8
    cumene 43.83
    2-octanol 71.14
    2-hexanone 127.78
    octyl acetate 76.12
    limonene 52.75
    1,2-dimethoxyethane 327.9
    ethyl orthosilicate 58.53
    tributyl phosphate 55.97
    diacetone alcohol 111.17
    N,N-dimethylaniline 84.47
    acrylonitrile 83.42
    aniline 85.64
    1,3-propanediol 148.76
    bromobenzene 76.33
    dibromomethane 125.07
    1,1,2,2-tetrachloroethane 164.88
    2-methyl-cyclohexyl acetate 96.05
    tetrabutyl urea 73.48
    diisobutyl methanol 52.23
    2-phenylethanol 131.91
    styrene 59.35
    dioctyl adipate 81.52
    dimethyl sulfate 75.42
    ethyl butyrate 92.47
    methyl lactate 62.64
    butyl lactate 96.53
    diethyl carbonate 68.33
    propanediol butyl ether 143.68
    triethyl orthoformate 74.73
    p-tert-butyltoluene 43.95
    methyl 4-tert-butylbenzoate 106.95
    morpholine 325.75
    tert-butylamine 83.24
    n-dodecanol 49.36
    dimethoxymethane 174.12
    ethylene carbonate 122.28
    cyrene 140.07
    2-ethoxyethyl acetate 150.05
    2-ethylhexyl acetate 116.96
    1,2,4-trichlorobenzene 93.95
    4-methylpyridine 149.86
    dibutyl ether 68.3
    2,6-dimethyl-4-heptanol 52.23
    DEF 100.54
    dimethyl isosorbide 199.0
    tetrachloroethylene 114.03
    eugenol 122.41
    triacetin 118.0
    span 80 113.85
    1,4-butanediol 88.25
    1,1-dichloroethane 96.79
    2-methyl-1-pentanol 113.74
    methyl formate 120.11
    2-methyl-1-butanol 98.27
    n-decane 11.02
    butyronitrile 84.64
    3,7-dimethyl-1-octanol 80.58
    1-chlorooctane 43.25
    1-chlorotetradecane 20.87
    n-nonane 9.14
    undecane 8.55
    tert-butylcyclohexane 11.56
    cyclooctane 5.44
    cyclopentanol 107.57
    tetrahydropyran 232.59
    tert-amyl methyl ether 73.37
    2,5,8-trioxanonane 217.11
    1-hexene 27.9
    2-isopropoxyethanol 162.31
    2,2,2-trifluoroethanol 56.63
    methyl butyrate 109.98

    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