Heliannuol D

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  • Identifiers

    CAS number
    161730-09-2

    Molecular formula
    C15H22O3

    SMILES
    CC1CCC(OC2=C1C=C(C(=C2)C)O)C(C)(C)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 58.27%
    Sweet 57.68%
    Spicy 46.76%
    Woody 46.18%
    Smoky 39.37%
    Vanilla 36.13%
    Leathery 35.35%
    Balsamic 33.24%
    Medicinal 33.1%
    Powdery 29.13%

     

    Flavor
    Sweet 41.98%
    Woody 34.98%
    Bitter 31.23%
    Herbal 30.75%
    Minty 29.53%
    Spicy 29.31%
    Phenolic 29.27%
    Camphor 27.35%
    Floral 26.88%
    Spice 26.0%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    10.49 (weak base)

    Molecular weight
    250.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    414°C

    Melting point expt.

    • 59 - 61 °C

    Flash point

    • 190.04 ˚C est.

  • Synonyms

    • Heliannuol D
    • 2-(2-hydroxypropan-2-yl)-5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-7-ol
    • (+)-Heliannuol D
    • 161730-09-2
    • SCHEMBL31419366
    • CHEBI:174299
    • 5,10-Epoxy-1,3,5-bisabolatriene-2,11-diol
    • 161730-09-2

  • Applications

    Heliannuol D, CAS 161730-09-2, is an organic synthesis intermediate used in industrial manufacturing and is being evaluated for fragrance applications in perfumery; it may act as an odorant in cosmetics/personal care; it is considered for use in household products such as cleaning and personal care products; these applications depend on processing conditions and local regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 794.31
    methanol 1181.52
    isopropanol 540.58
    water 2.84
    ethyl acetate 303.56
    n-propanol 474.25
    acetone 477.92
    n-butanol 377.14
    acetonitrile 185.7
    DMF 593.51
    toluene 122.08
    isobutanol 299.91
    1,4-dioxane 1101.5
    methyl acetate 318.2
    THF 1350.4
    2-butanone 333.24
    n-pentanol 292.6
    sec-butanol 298.8
    n-hexane 9.87
    ethylene glycol 159.37
    NMP 246.43
    cyclohexane 24.01
    DMSO 564.16
    n-butyl acetate 253.72
    n-octanol 159.72
    chloroform 526.89
    n-propyl acetate 218.65
    acetic acid 401.56
    dichloromethane 391.21
    cyclohexanone 355.15
    propylene glycol 248.12
    isopropyl acetate 195.63
    DMAc 433.85
    2-ethoxyethanol 576.03
    isopentanol 272.33
    n-heptane 12.51
    ethyl formate 257.16
    1,2-dichloroethane 231.59
    n-hexanol 318.01
    2-methoxyethanol 807.69
    isobutyl acetate 184.75
    tetrachloromethane 56.47
    n-pentyl acetate 165.02
    transcutol 809.48
    n-heptanol 170.95
    ethylbenzene 85.71
    MIBK 159.59
    2-propoxyethanol 522.54
    tert-butanol 535.4
    MTBE 343.3
    2-butoxyethanol 306.17
    propionic acid 225.87
    o-xylene 74.0
    formic acid 218.95
    diethyl ether 279.47
    m-xylene 85.73
    p-xylene 115.39
    chlorobenzene 145.1
    dimethyl carbonate 105.77
    n-octane 10.38
    formamide 303.02
    cyclopentanone 433.68
    2-pentanone 237.88
    anisole 212.19
    cyclopentyl methyl ether 253.46
    gamma-butyrolactone 435.73
    1-methoxy-2-propanol 515.8
    pyridine 365.45
    3-pentanone 144.03
    furfural 382.12
    n-dodecane 11.33
    diethylene glycol 445.72
    diisopropyl ether 69.32
    tert-amyl alcohol 317.55
    acetylacetone 292.53
    n-hexadecane 12.65
    acetophenone 174.47
    methyl propionate 191.12
    isopentyl acetate 249.93
    trichloroethylene 377.83
    n-nonanol 139.71
    cyclohexanol 236.19
    benzyl alcohol 224.82
    2-ethylhexanol 150.92
    isooctanol 133.64
    dipropyl ether 127.41
    1,2-dichlorobenzene 126.62
    ethyl lactate 121.37
    propylene carbonate 252.94
    n-methylformamide 293.05
    2-pentanol 200.17
    n-pentane 9.42
    1-propoxy-2-propanol 307.85
    1-methoxy-2-propyl acetate 237.05
    2-(2-methoxypropoxy) propanol 217.87
    mesitylene 52.89
    ε-caprolactone 296.7
    p-cymene 56.59
    epichlorohydrin 500.64
    1,1,1-trichloroethane 172.21
    2-aminoethanol 304.03
    morpholine-4-carbaldehyde 520.9
    sulfolane 365.53
    2,2,4-trimethylpentane 11.48
    2-methyltetrahydrofuran 513.49
    n-hexyl acetate 208.1
    isooctane 11.42
    2-(2-butoxyethoxy)ethanol 354.25
    sec-butyl acetate 146.78
    tert-butyl acetate 198.17
    decalin 17.34
    glycerin 293.85
    diglyme 573.87
    acrylic acid 179.28
    isopropyl myristate 92.69
    n-butyric acid 322.97
    acetyl acetate 196.11
    di(2-ethylhexyl) phthalate 100.1
    ethyl propionate 136.35
    nitromethane 457.42
    1,2-diethoxyethane 301.84
    benzonitrile 186.52
    trioctyl phosphate 80.79
    1-bromopropane 124.52
    gamma-valerolactone 635.73
    n-decanol 106.43
    triethyl phosphate 81.42
    4-methyl-2-pentanol 129.76
    propionitrile 167.08
    vinylene carbonate 258.6
    1,1,2-trichlorotrifluoroethane 304.87
    DMS 153.97
    cumene 61.83
    2-octanol 122.68
    2-hexanone 207.67
    octyl acetate 121.36
    limonene 71.31
    1,2-dimethoxyethane 812.69
    ethyl orthosilicate 88.65
    tributyl phosphate 84.3
    diacetone alcohol 239.37
    N,N-dimethylaniline 128.96
    acrylonitrile 182.26
    aniline 168.08
    1,3-propanediol 478.13
    bromobenzene 132.44
    dibromomethane 237.99
    1,1,2,2-tetrachloroethane 327.53
    2-methyl-cyclohexyl acetate 140.1
    tetrabutyl urea 107.21
    diisobutyl methanol 83.22
    2-phenylethanol 230.59
    styrene 100.98
    dioctyl adipate 124.83
    dimethyl sulfate 134.83
    ethyl butyrate 147.86
    methyl lactate 132.83
    butyl lactate 140.36
    diethyl carbonate 104.29
    propanediol butyl ether 288.52
    triethyl orthoformate 118.63
    p-tert-butyltoluene 58.87
    methyl 4-tert-butylbenzoate 157.12
    morpholine 1030.0
    tert-butylamine 242.12
    n-dodecanol 82.94
    dimethoxymethane 440.6
    ethylene carbonate 231.18
    cyrene 218.57
    2-ethoxyethyl acetate 235.75
    2-ethylhexyl acetate 180.93
    1,2,4-trichlorobenzene 149.02
    4-methylpyridine 306.92
    dibutyl ether 122.76
    2,6-dimethyl-4-heptanol 83.22
    DEF 197.35
    dimethyl isosorbide 310.54
    tetrachloroethylene 215.24
    eugenol 179.66
    triacetin 180.62
    span 80 194.33
    1,4-butanediol 236.61
    1,1-dichloroethane 215.75
    2-methyl-1-pentanol 232.82
    methyl formate 258.65
    2-methyl-1-butanol 227.89
    n-decane 17.77
    butyronitrile 218.16
    3,7-dimethyl-1-octanol 132.94
    1-chlorooctane 71.09
    1-chlorotetradecane 32.69
    n-nonane 15.5
    undecane 13.62
    tert-butylcyclohexane 17.53
    cyclooctane 9.37
    cyclopentanol 263.09
    tetrahydropyran 685.53
    tert-amyl methyl ether 173.52
    2,5,8-trioxanonane 389.64
    1-hexene 55.78
    2-isopropoxyethanol 357.87
    2,2,2-trifluoroethanol 122.66
    methyl butyrate 201.97

    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