5a,5b,8,8,11a,13b-Hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-ol

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  • Identifiers

    CAS number
    18610-71-4

    Molecular formula
    C30H50O

    SMILES
    CC(=C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 88.94%
    Sweet 52.76%
    Amber 52.51%
    Dry 51.17%
    Sandalwood 45.21%
    Cedar 44.11%
    Musk 36.72%
    Balsamic 36.01%
    Spicy 34.99%
    Vetiver 34.31%

     

    Flavor
    Woody 72.6%
    Sweet 60.35%
    Pine 45.7%
    Camphor 44.82%
    Dry 43.21%
    Balsam 38.93%
    Wood 37.78%
    Earthy 36.61%
    Fresh 33.5%
    Fir needle 30.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.9

    pKa est.
    7.92 (neutral)

    Molecular weight
    426.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    484°C

    Melting point expt.

    • 223 - 224 °C

    Flash point

    • 221.01 ˚C est.

  • Synonyms

    • 3-Epimoretenol
    • 5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-ol
    • 18610-71-4
    • (21beta)-A/'-Neogammacer-22(29)-en-3alpha-ol
    • 3-Epi-Moretenol
    • Hop-22(29)-en-3.beta.-ol
    • CHEBI:175451
    • LFPVZIIPFONRSW-UHFFFAOYSA-N
    • 3-Isopropenyl-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-9-ol #
    • 18610-71-4

  • Applications

    Chemical name: 5a,5b,8,8,11a,13b-Hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-ol (CAS 18610-71-4) is a saturated polycyclic aromatic alcohol. In practical applications, the compound is primarily encountered as a synthetic intermediate for building polycyclic hydrocarbon cores; it may serve as a building block in specialty polymers and aromatic polymer architectures requiring rigid, bulky hydrophobic cores; it is examined in organic electronics and small-molecule semiconductor research as a potential component of organic electronic materials; it can be used as an analytical reference material for method development in spectroscopy and chromatography; and it may act as a precursor or additive in coatings and printing formulations to influence properties such as thermal stability and optical characteristics, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12.48
    methanol 5.31
    isopropanol 14.87
    water 0.11
    ethyl acetate 24.79
    n-propanol 19.13
    acetone 22.91
    n-butanol 23.12
    acetonitrile 8.19
    DMF 42.96
    toluene 42.72
    isobutanol 16.52
    1,4-dioxane 47.39
    methyl acetate 13.72
    THF 107.77
    2-butanone 22.04
    n-pentanol 11.6
    sec-butanol 9.38
    n-hexane 1.55
    ethylene glycol 1.42
    NMP 41.08
    cyclohexane 2.36
    DMSO 13.28
    n-butyl acetate 25.29
    n-octanol 11.05
    chloroform 54.72
    n-propyl acetate 15.76
    acetic acid 11.18
    dichloromethane 29.39
    cyclohexanone 43.69
    propylene glycol 2.93
    isopropyl acetate 33.47
    DMAc 43.83
    2-ethoxyethanol 19.34
    isopentanol 22.4
    n-heptane 2.06
    ethyl formate 7.77
    1,2-dichloroethane 20.33
    n-hexanol 17.18
    2-methoxyethanol 28.68
    isobutyl acetate 18.99
    tetrachloromethane 13.2
    n-pentyl acetate 33.59
    transcutol 75.78
    n-heptanol 19.07
    ethylbenzene 13.25
    MIBK 33.47
    2-propoxyethanol 53.81
    tert-butanol 16.04
    MTBE 19.28
    2-butoxyethanol 49.17
    propionic acid 10.43
    o-xylene 20.04
    formic acid 2.91
    diethyl ether 26.6
    m-xylene 33.02
    p-xylene 14.46
    chlorobenzene 29.45
    dimethyl carbonate 18.81
    n-octane 0.69
    formamide 4.96
    cyclopentanone 53.35
    2-pentanone 31.49
    anisole 32.28
    cyclopentyl methyl ether 45.26
    gamma-butyrolactone 44.36
    1-methoxy-2-propanol 44.45
    pyridine 44.76
    3-pentanone 23.39
    furfural 40.47
    n-dodecane 0.3
    diethylene glycol 20.56
    diisopropyl ether 13.25
    tert-amyl alcohol 9.68
    acetylacetone 44.84
    n-hexadecane 0.38
    acetophenone 26.81
    methyl propionate 24.19
    isopentyl acetate 35.65
    trichloroethylene 51.46
    n-nonanol 13.04
    cyclohexanol 15.28
    benzyl alcohol 18.48
    2-ethylhexanol 13.22
    isooctanol 17.67
    dipropyl ether 24.85
    1,2-dichlorobenzene 28.57
    ethyl lactate 11.19
    propylene carbonate 25.56
    n-methylformamide 11.99
    2-pentanol 14.45
    n-pentane 2.32
    1-propoxy-2-propanol 47.66
    1-methoxy-2-propyl acetate 58.37
    2-(2-methoxypropoxy) propanol 32.92
    mesitylene 18.7
    ε-caprolactone 38.6
    p-cymene 13.09
    epichlorohydrin 47.22
    1,1,1-trichloroethane 30.34
    2-aminoethanol 5.66
    morpholine-4-carbaldehyde 59.1
    sulfolane 41.7
    2,2,4-trimethylpentane 1.53
    2-methyltetrahydrofuran 35.45
    n-hexyl acetate 31.68
    isooctane 1.93
    2-(2-butoxyethoxy)ethanol 44.18
    sec-butyl acetate 16.81
    tert-butyl acetate 43.66
    decalin 1.83
    glycerin 6.38
    diglyme 88.16
    acrylic acid 8.82
    isopropyl myristate 12.84
    n-butyric acid 25.48
    acetyl acetate 23.28
    di(2-ethylhexyl) phthalate 16.73
    ethyl propionate 19.17
    nitromethane 19.48
    1,2-diethoxyethane 29.49
    benzonitrile 19.07
    trioctyl phosphate 11.75
    1-bromopropane 13.99
    gamma-valerolactone 88.15
    n-decanol 7.66
    triethyl phosphate 15.22
    4-methyl-2-pentanol 14.98
    propionitrile 14.49
    vinylene carbonate 26.78
    1,1,2-trichlorotrifluoroethane 32.73
    DMS 25.08
    cumene 9.66
    2-octanol 10.2
    2-hexanone 17.04
    octyl acetate 14.09
    limonene 13.19
    1,2-dimethoxyethane 39.9
    ethyl orthosilicate 17.86
    tributyl phosphate 10.57
    diacetone alcohol 35.38
    N,N-dimethylaniline 24.63
    acrylonitrile 14.9
    aniline 28.72
    1,3-propanediol 14.74
    bromobenzene 33.84
    dibromomethane 20.7
    1,1,2,2-tetrachloroethane 40.72
    2-methyl-cyclohexyl acetate 25.07
    tetrabutyl urea 15.36
    diisobutyl methanol 12.89
    2-phenylethanol 29.52
    styrene 14.42
    dioctyl adipate 19.24
    dimethyl sulfate 25.32
    ethyl butyrate 23.26
    methyl lactate 15.39
    butyl lactate 28.24
    diethyl carbonate 14.5
    propanediol butyl ether 27.0
    triethyl orthoformate 26.32
    p-tert-butyltoluene 15.07
    methyl 4-tert-butylbenzoate 50.44
    morpholine 50.05
    tert-butylamine 11.72
    n-dodecanol 4.44
    dimethoxymethane 61.17
    ethylene carbonate 22.96
    cyrene 28.93
    2-ethoxyethyl acetate 47.08
    2-ethylhexyl acetate 27.18
    1,2,4-trichlorobenzene 36.21
    4-methylpyridine 44.28
    dibutyl ether 11.26
    2,6-dimethyl-4-heptanol 12.89
    DEF 29.0
    dimethyl isosorbide 65.9
    tetrachloroethylene 29.31
    eugenol 43.55
    triacetin 35.94
    span 80 28.61
    1,4-butanediol 4.4
    1,1-dichloroethane 21.81
    2-methyl-1-pentanol 11.5
    methyl formate 8.34
    2-methyl-1-butanol 16.75
    n-decane 0.96
    butyronitrile 16.57
    3,7-dimethyl-1-octanol 12.51
    1-chlorooctane 5.77
    1-chlorotetradecane 1.37
    n-nonane 0.81
    undecane 0.5
    tert-butylcyclohexane 1.99
    cyclooctane 1.33
    cyclopentanol 14.75
    tetrahydropyran 41.65
    tert-amyl methyl ether 14.86
    2,5,8-trioxanonane 48.24
    1-hexene 5.29
    2-isopropoxyethanol 18.39
    2,2,2-trifluoroethanol 7.32
    methyl butyrate 18.7

    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