Cycloeucalenol

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  • Identifiers

    CAS number
    469-39-6

    Molecular formula
    C30H50O

    SMILES
    C[C@H]1[C@@H]2CC[C@H]3[C@@]4(CC[C@@H]([C@]4(CC[C@@]35[C@@]2(C5)CC[C@@H]1O)C)[C@H](C)CCC(=C)C(C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 88.5%
    Sandalwood 56.43%
    Amber 48.1%
    Dry 42.57%
    Balsamic 40.68%
    Vetiver 38.79%
    Cedar 38.54%
    Waxy 37.28%
    Spicy 33.12%
    Oily 29.72%

     

    Flavor
    Woody 54.39%
    Wood 38.0%
    Herb 31.97%
    Spice 29.51%
    Herbal 28.9%
    Pine 25.82%
    Fir needle 24.48%
    Waxy 24.17%
    Balsam 23.83%
    Terpene 22.89%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.9

    pKa est.
    8.62 (weak base)

    Molecular weight
    426.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    489°C

    Flash point

    • 158.27 ˚C est.

  • Synonyms

    • Cycloeucalenol
    • 469-39-6
    • Cycloleucalenol
    • 3beta-Cycloeucalenol
    • 7OF1Q9UE9R
    • (1S,3R,6S,7S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
    • 4alpha,14-dimethyl-9beta,19-cyclo-5alpha-ergost-24(28)-en-3beta-ol
    • CHEBI:16653
    • DTXSID70963693
    • 3beta,4alpha,5alpha-4,14-dimethyl-9,19-cycloergost-24(28)-en-3-ol
    • 9,19-Cycloergost-24(28)-en-3-ol, 4,14-dimethyl-, (3beta,4alpha,5alpha)-
    • (1S,3R,6S,7S,8S,11S,12S,15R,16R)-7,12,16-trimethyl-15-((2R)-6-methyl-5-methylideneheptan-2-yl)pentacyclo(9.7.0.01,3.03,8.012,16)octadecan-6-ol
    • RefChem:129474
    • DTXCID001391432
    • UNII-7OF1Q9UE9R
    • SCHEMBL569261
    • 3.BETA.-CYCLOEUCALENOL
    • CHEMBL225634
    • orb1682864
    • 9,19-Cyclo-5.alpha.,9.beta.-ergost-24(28)-en-3.beta.-ol, 4.alpha.,14-dimethyl-
    • 9,19-Cycloergost-24(28)-en-3-ol, 4,14-dimethyl-, (3.beta.,4.alpha.,5.alpha.)-
    • GLXC-17775
    • HY-N3666
    • LMST01100011
    • AKOS040761557
    • FS-9905
    • DA-62589
    • FC165806
    • CS-0024024
    • C02141
    • CYCLOARTANOL, 4.BETA.-DEMETHYL-24-METHYLENE
    • Q27102014
    • 296B38AD-04D4-47A1-8AC8-D97BD9BE6224
    • 9,19-Cyclo-5,9-ergost-24(28)-en-3-ol, 4,14-dimethyl-
    • 4alpha,14-Dimethyl-5alpha,9beta-9,19-cycloergost-24(24~1~)-en-3beta-ol
    • 4alpha,14alpha-dimethyl-9beta,19-cycloergost-24(24<sup>1</sup>)-en-3beta-ol
    • 4.ALPHA.,14.ALPHA.-DIMETHYL-9,19-CYCLOPROPANE-24(28)-METHYLENECHOLESTAN-3.BETA.-OL
    • 469-39-6

  • Applications

    Cycloeucalenol (CAS 469-39-6) is a natural triterpene/sterol used primarily as an intermediate in the synthesis of sterols and triterpenoid derivatives for pharmaceutical and cosmetic applications; it is also employed as an analytical reference standard for sterol profiling in natural product chemistry; in research and development, it serves as a building block for structure–activity studies of plant sterols and related compounds; and it may be present in plant-derived extracts used in cosmetics and personal care formulations, where it can function as a natural component or precursor for formulation development, with applicability limited by regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.06
    methanol 2.33
    isopropanol 7.96
    water 0.04
    ethyl acetate 12.42
    n-propanol 8.38
    acetone 9.94
    n-butanol 11.79
    acetonitrile 2.47
    DMF 9.45
    toluene 14.64
    isobutanol 7.14
    1,4-dioxane 20.74
    methyl acetate 5.82
    THF 35.76
    2-butanone 10.23
    n-pentanol 6.21
    sec-butanol 5.0
    n-hexane 0.65
    ethylene glycol 0.56
    NMP 11.97
    cyclohexane 0.97
    DMSO 4.62
    n-butyl acetate 13.47
    n-octanol 5.29
    chloroform 21.03
    n-propyl acetate 8.42
    acetic acid 5.0
    dichloromethane 11.26
    cyclohexanone 18.25
    propylene glycol 1.2
    isopropyl acetate 18.7
    DMAc 16.34
    2-ethoxyethanol 10.92
    isopentanol 12.46
    n-heptane 0.91
    ethyl formate 3.22
    1,2-dichloroethane 7.91
    n-hexanol 9.12
    2-methoxyethanol 13.83
    isobutyl acetate 10.61
    tetrachloromethane 5.34
    n-pentyl acetate 16.75
    transcutol 58.78
    n-heptanol 8.87
    ethylbenzene 5.84
    MIBK 18.07
    2-propoxyethanol 27.51
    tert-butanol 8.55
    MTBE 11.95
    2-butoxyethanol 24.88
    propionic acid 4.32
    o-xylene 8.17
    formic acid 1.21
    diethyl ether 12.16
    m-xylene 11.7
    p-xylene 6.72
    chlorobenzene 11.02
    dimethyl carbonate 6.33
    n-octane 0.33
    formamide 1.93
    cyclopentanone 18.85
    2-pentanone 14.63
    anisole 14.81
    cyclopentyl methyl ether 15.71
    gamma-butyrolactone 15.09
    1-methoxy-2-propanol 19.14
    pyridine 16.39
    3-pentanone 10.59
    furfural 13.85
    n-dodecane 0.18
    diethylene glycol 10.46
    diisopropyl ether 6.87
    tert-amyl alcohol 5.69
    acetylacetone 21.46
    n-hexadecane 0.23
    acetophenone 12.65
    methyl propionate 9.89
    isopentyl acetate 20.5
    trichloroethylene 18.45
    n-nonanol 6.87
    cyclohexanol 7.15
    benzyl alcohol 9.04
    2-ethylhexanol 7.09
    isooctanol 8.88
    dipropyl ether 11.32
    1,2-dichlorobenzene 10.98
    ethyl lactate 5.6
    propylene carbonate 9.49
    n-methylformamide 3.3
    2-pentanol 7.63
    n-pentane 0.94
    1-propoxy-2-propanol 24.08
    1-methoxy-2-propyl acetate 32.81
    2-(2-methoxypropoxy) propanol 21.08
    mesitylene 7.56
    ε-caprolactone 17.45
    p-cymene 6.09
    epichlorohydrin 18.68
    1,1,1-trichloroethane 12.26
    2-aminoethanol 2.34
    morpholine-4-carbaldehyde 21.61
    sulfolane 14.23
    2,2,4-trimethylpentane 0.76
    2-methyltetrahydrofuran 14.92
    n-hexyl acetate 16.81
    isooctane 0.95
    2-(2-butoxyethoxy)ethanol 27.86
    sec-butyl acetate 9.67
    tert-butyl acetate 25.9
    decalin 0.9
    glycerin 2.65
    diglyme 48.96
    acrylic acid 3.27
    isopropyl myristate 7.28
    n-butyric acid 12.25
    acetyl acetate 11.53
    di(2-ethylhexyl) phthalate 9.2
    ethyl propionate 9.41
    nitromethane 6.58
    1,2-diethoxyethane 19.09
    benzonitrile 7.23
    trioctyl phosphate 5.93
    1-bromopropane 6.25
    gamma-valerolactone 35.79
    n-decanol 4.21
    triethyl phosphate 8.51
    4-methyl-2-pentanol 8.6
    propionitrile 4.92
    vinylene carbonate 9.82
    1,1,2-trichlorotrifluoroethane 12.78
    DMS 12.49
    cumene 4.79
    2-octanol 4.94
    2-hexanone 8.97
    octyl acetate 7.7
    limonene 6.26
    1,2-dimethoxyethane 19.35
    ethyl orthosilicate 10.26
    tributyl phosphate 5.77
    diacetone alcohol 20.2
    N,N-dimethylaniline 11.22
    acrylonitrile 4.65
    aniline 12.17
    1,3-propanediol 7.49
    bromobenzene 12.05
    dibromomethane 8.51
    1,1,2,2-tetrachloroethane 14.89
    2-methyl-cyclohexyl acetate 14.25
    tetrabutyl urea 8.25
    diisobutyl methanol 7.64
    2-phenylethanol 15.13
    styrene 6.07
    dioctyl adipate 10.35
    dimethyl sulfate 8.41
    ethyl butyrate 12.63
    methyl lactate 6.15
    butyl lactate 14.07
    diethyl carbonate 8.38
    propanediol butyl ether 14.01
    triethyl orthoformate 15.21
    p-tert-butyltoluene 6.78
    methyl 4-tert-butylbenzoate 25.03
    morpholine 20.54
    tert-butylamine 5.72
    n-dodecanol 2.56
    dimethoxymethane 19.03
    ethylene carbonate 8.81
    cyrene 14.57
    2-ethoxyethyl acetate 27.92
    2-ethylhexyl acetate 15.75
    1,2,4-trichlorobenzene 14.49
    4-methylpyridine 17.36
    dibutyl ether 6.4
    2,6-dimethyl-4-heptanol 7.64
    DEF 11.72
    dimethyl isosorbide 34.5
    tetrachloroethylene 11.33
    eugenol 22.18
    triacetin 21.17
    span 80 16.66
    1,4-butanediol 2.31
    1,1-dichloroethane 8.97
    2-methyl-1-pentanol 6.81
    methyl formate 2.27
    2-methyl-1-butanol 8.38
    n-decane 0.5
    butyronitrile 6.64
    3,7-dimethyl-1-octanol 7.05
    1-chlorooctane 2.7
    1-chlorotetradecane 0.8
    n-nonane 0.39
    undecane 0.28
    tert-butylcyclohexane 0.98
    cyclooctane 0.52
    cyclopentanol 5.37
    tetrahydropyran 16.8
    tert-amyl methyl ether 8.34
    2,5,8-trioxanonane 29.93
    1-hexene 2.26
    2-isopropoxyethanol 11.06
    2,2,2-trifluoroethanol 2.91
    methyl butyrate 8.87

    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