1-Hydroxyacoronene

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  • Identifiers

    CAS number
    185154-98-7

    Molecular formula
    C15H22O3

    SMILES
    C[C@H]1CC(=O)[C@@]([C@]12CC=C(C(=O)C2)C)(C(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 57.72%
    Mint 42.61%
    Camphoreous 39.85%
    Sweet 39.48%
    Herbal 34.85%
    Spicy 30.38%
    Tobacco 30.18%
    Cooling 29.34%
    Caramellic 27.46%
    Earthy 26.52%

     

    Flavor
    Bitter 53.76%
    Minty 33.59%
    Sweet 32.68%
    Maple 26.17%
    Caramel 23.8%
    Fenugreek 21.8%
    Cotton candy 21.16%
    Extremely sweet 21.16%
    Leaves 21.14%
    Seedy 21.04%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.65 (neutral)

    Molecular weight
    250.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    408°C

    Flash point

    • 146.83 ˚C est.

  • Synonyms

    • 1-hydroxyacoronene
    • CHEBI:228319
    • DTXSID101133875
    • (1S,4S,5S)-1-hydroxy-4,8-dimethyl-1-(propan-2-yl)spiro[4.5]dec-8-ene-2,7-dione
    • (1S,4S,5S)-1-Hydroxy-4,8-dimethyl-1-(1-methylethyl)spiro[4.5]dec-8-ene-2,7-dione
    • (1S,4S,5S)-4-hydroxy-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-ene-3,9-dione
    • 185154-98-7
    • 185154-98-7

  • Applications

    1-Hydroxyacoronene (CAS 185154-98-7) is typically employed as a versatile building block in the synthesis of functional polycyclic aromatic hydrocarbons for organic electronics and optoelectronic materials. It is also used as a model compound in surface science and spectroscopy studies. In materials development, it can serve as an intermediate in PAH-based polymer formulations and coatings. It may be employed as a precursor for conductive inks and related coating systems. Additionally, it is explored as a fluorescence-active component for optical materials and sensing applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 238.09
    methanol 498.83
    isopropanol 243.0
    water 7.57
    ethyl acetate 214.34
    n-propanol 234.81
    acetone 393.41
    n-butanol 199.35
    acetonitrile 231.56
    DMF 1221.39
    toluene 264.85
    isobutanol 167.36
    1,4-dioxane 613.16
    methyl acetate 245.43
    THF 975.71
    2-butanone 268.68
    n-pentanol 91.07
    sec-butanol 128.81
    n-hexane 5.4
    ethylene glycol 79.4
    NMP 515.76
    cyclohexane 15.82
    DMSO 449.69
    n-butyl acetate 111.51
    n-octanol 45.6
    chloroform 748.53
    n-propyl acetate 109.64
    acetic acid 269.85
    dichloromethane 558.96
    cyclohexanone 428.1
    propylene glycol 76.05
    isopropyl acetate 171.23
    DMAc 461.6
    2-ethoxyethanol 197.57
    isopentanol 149.23
    n-heptane 4.0
    ethyl formate 155.62
    1,2-dichloroethane 298.99
    n-hexanol 110.83
    2-methoxyethanol 466.22
    isobutyl acetate 79.58
    tetrachloromethane 124.06
    n-pentyl acetate 96.41
    transcutol 269.66
    n-heptanol 63.69
    ethylbenzene 97.08
    MIBK 150.72
    2-propoxyethanol 279.16
    tert-butanol 226.37
    MTBE 134.09
    2-butoxyethanol 142.85
    propionic acid 166.55
    o-xylene 132.59
    formic acid 205.66
    diethyl ether 171.05
    m-xylene 164.29
    p-xylene 126.62
    chlorobenzene 243.49
    dimethyl carbonate 197.0
    n-octane 2.53
    formamide 402.46
    cyclopentanone 659.7
    2-pentanone 225.79
    anisole 187.12
    cyclopentyl methyl ether 262.19
    gamma-butyrolactone 703.89
    1-methoxy-2-propanol 327.89
    pyridine 496.72
    3-pentanone 180.17
    furfural 505.25
    n-dodecane 2.14
    diethylene glycol 242.7
    diisopropyl ether 50.88
    tert-amyl alcohol 122.29
    acetylacetone 332.64
    n-hexadecane 2.62
    acetophenone 191.74
    methyl propionate 220.43
    isopentyl acetate 112.54
    trichloroethylene 675.73
    n-nonanol 44.37
    cyclohexanol 168.58
    benzyl alcohol 175.46
    2-ethylhexanol 48.79
    isooctanol 51.94
    dipropyl ether 53.94
    1,2-dichlorobenzene 202.63
    ethyl lactate 72.07
    propylene carbonate 290.69
    n-methylformamide 505.0
    2-pentanol 107.65
    n-pentane 7.91
    1-propoxy-2-propanol 149.18
    1-methoxy-2-propyl acetate 170.86
    2-(2-methoxypropoxy) propanol 98.58
    mesitylene 87.33
    ε-caprolactone 313.5
    p-cymene 41.62
    epichlorohydrin 597.26
    1,1,1-trichloroethane 319.64
    2-aminoethanol 146.38
    morpholine-4-carbaldehyde 595.7
    sulfolane 570.83
    2,2,4-trimethylpentane 5.56
    2-methyltetrahydrofuran 335.74
    n-hexyl acetate 118.82
    isooctane 5.97
    2-(2-butoxyethoxy)ethanol 128.69
    sec-butyl acetate 89.79
    tert-butyl acetate 168.05
    decalin 10.52
    glycerin 150.46
    diglyme 301.5
    acrylic acid 187.04
    isopropyl myristate 42.74
    n-butyric acid 228.22
    acetyl acetate 197.26
    di(2-ethylhexyl) phthalate 55.84
    ethyl propionate 118.13
    nitromethane 576.14
    1,2-diethoxyethane 99.06
    benzonitrile 209.71
    trioctyl phosphate 38.62
    1-bromopropane 127.56
    gamma-valerolactone 716.24
    n-decanol 29.6
    triethyl phosphate 52.18
    4-methyl-2-pentanol 72.87
    propionitrile 211.68
    vinylene carbonate 314.69
    1,1,2-trichlorotrifluoroethane 342.85
    DMS 151.74
    cumene 57.46
    2-octanol 41.05
    2-hexanone 104.74
    octyl acetate 52.99
    limonene 46.0
    1,2-dimethoxyethane 348.11
    ethyl orthosilicate 48.84
    tributyl phosphate 40.92
    diacetone alcohol 180.06
    N,N-dimethylaniline 122.91
    acrylonitrile 304.7
    aniline 281.38
    1,3-propanediol 234.2
    bromobenzene 236.9
    dibromomethane 288.23
    1,1,2,2-tetrachloroethane 481.35
    2-methyl-cyclohexyl acetate 83.9
    tetrabutyl urea 56.91
    diisobutyl methanol 35.94
    2-phenylethanol 157.31
    styrene 113.75
    dioctyl adipate 61.76
    dimethyl sulfate 308.35
    ethyl butyrate 83.92
    methyl lactate 143.13
    butyl lactate 76.17
    diethyl carbonate 65.93
    propanediol butyl ether 93.98
    triethyl orthoformate 63.77
    p-tert-butyltoluene 41.76
    methyl 4-tert-butylbenzoate 139.13
    morpholine 606.98
    tert-butylamine 109.0
    n-dodecanol 20.0
    dimethoxymethane 604.22
    ethylene carbonate 248.51
    cyrene 149.22
    2-ethoxyethyl acetate 144.32
    2-ethylhexyl acetate 85.68
    1,2,4-trichlorobenzene 221.45
    4-methylpyridine 450.18
    dibutyl ether 36.48
    2,6-dimethyl-4-heptanol 35.94
    DEF 248.5
    dimethyl isosorbide 224.13
    tetrachloroethylene 334.01
    eugenol 135.46
    triacetin 128.2
    span 80 85.18
    1,4-butanediol 73.47
    1,1-dichloroethane 315.59
    2-methyl-1-pentanol 74.23
    methyl formate 398.89
    2-methyl-1-butanol 119.89
    n-decane 4.28
    butyronitrile 178.34
    3,7-dimethyl-1-octanol 42.88
    1-chlorooctane 25.32
    1-chlorotetradecane 9.0
    n-nonane 3.57
    undecane 2.9
    tert-butylcyclohexane 9.21
    cyclooctane 5.21
    cyclopentanol 215.26
    tetrahydropyran 381.23
    tert-amyl methyl ether 85.26
    2,5,8-trioxanonane 169.62
    1-hexene 26.3
    2-isopropoxyethanol 126.23
    2,2,2-trifluoroethanol 170.55
    methyl butyrate 145.74

    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