Cycloartane-3I(2),25-diol

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  • Identifiers

    CAS number
    26525-84-8

    Molecular formula
    C30H52O2

    SMILES
    C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C

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  • Odor profile

    Fragrance
    Woody 88.89%
    Sandalwood 59.0%
    Amber 58.46%
    Dry 46.85%
    Musk 44.83%
    Sweet 40.48%
    Cedar 40.1%
    Vetiver 39.23%
    Powdery 39.04%
    Balsamic 38.2%

     

    Flavor
    Woody 59.94%
    Sweet 52.11%
    Pine 39.28%
    Balsam 35.78%
    Wood 33.03%
    Camphor 31.77%
    Dry 30.68%
    Green 29.86%
    Earthy 29.2%
    Waxy 28.88%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.5

    pKa est.
    8.13 (weak base)

    Molecular weight
    444.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    245°C

    Flash point

    • 186.53 ˚C est.

  • Synonyms

    • Cycloartane-3I(2),25-diol
    • DTXSID601314412
    • 9beta-9,19-Cyclolanostane-3beta,25-diol
    • 26525-84-8
    • 26525-84-8

  • Applications

    Cycloartane-3I(2),25-diol is commonly used as a chiral building block and synthetic intermediate for triterpenoid derivatives in pharmaceutical and agrochemical research; it is evaluated for cosmetic and personal care formulations as a skin-conditioning component due to its bulky triterpene framework; it can serve as a starting material for the synthesis of functionalized diols and related compounds in academic and industrial R&D; and it may be considered for specialty polymers or coating formulations where a rigid, hydrophobic diol fragment is advantageous.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.2
    methanol 3.18
    isopropanol 6.82
    water 0.04
    ethyl acetate 10.29
    n-propanol 9.04
    acetone 10.28
    n-butanol 9.74
    acetonitrile 2.92
    DMF 16.06
    toluene 7.96
    isobutanol 6.58
    1,4-dioxane 21.06
    methyl acetate 6.4
    THF 48.67
    2-butanone 10.99
    n-pentanol 7.06
    sec-butanol 4.82
    n-hexane 0.49
    ethylene glycol 0.85
    NMP 19.81
    cyclohexane 0.52
    DMSO 7.92
    n-butyl acetate 11.57
    n-octanol 5.96
    chloroform 19.22
    n-propyl acetate 7.7
    acetic acid 6.43
    dichloromethane 10.07
    cyclohexanone 17.6
    propylene glycol 2.03
    isopropyl acetate 13.34
    DMAc 23.89
    2-ethoxyethanol 13.85
    isopentanol 8.8
    n-heptane 0.68
    ethyl formate 3.66
    1,2-dichloroethane 6.67
    n-hexanol 9.66
    2-methoxyethanol 16.04
    isobutyl acetate 9.39
    tetrachloromethane 4.08
    n-pentyl acetate 15.2
    transcutol 45.42
    n-heptanol 9.37
    ethylbenzene 3.9
    MIBK 13.09
    2-propoxyethanol 33.31
    tert-butanol 6.19
    MTBE 9.34
    2-butoxyethanol 26.68
    propionic acid 5.53
    o-xylene 4.4
    formic acid 2.03
    diethyl ether 9.59
    m-xylene 6.48
    p-xylene 4.37
    chlorobenzene 8.08
    dimethyl carbonate 7.08
    n-octane 0.26
    formamide 3.1
    cyclopentanone 21.62
    2-pentanone 12.71
    anisole 11.85
    cyclopentyl methyl ether 15.43
    gamma-butyrolactone 19.05
    1-methoxy-2-propanol 21.79
    pyridine 16.49
    3-pentanone 9.45
    furfural 14.78
    n-dodecane 0.14
    diethylene glycol 13.65
    diisopropyl ether 4.4
    tert-amyl alcohol 4.93
    acetylacetone 17.45
    n-hexadecane 0.18
    acetophenone 10.63
    methyl propionate 10.01
    isopentyl acetate 15.54
    trichloroethylene 16.24
    n-nonanol 7.38
    cyclohexanol 5.62
    benzyl alcohol 8.77
    2-ethylhexanol 6.5
    isooctanol 8.27
    dipropyl ether 9.88
    1,2-dichlorobenzene 7.61
    ethyl lactate 6.33
    propylene carbonate 10.33
    n-methylformamide 5.07
    2-pentanol 5.67
    n-pentane 0.58
    1-propoxy-2-propanol 25.43
    1-methoxy-2-propyl acetate 27.75
    2-(2-methoxypropoxy) propanol 19.03
    mesitylene 3.69
    ε-caprolactone 17.4
    p-cymene 4.02
    epichlorohydrin 21.74
    1,1,1-trichloroethane 8.7
    2-aminoethanol 3.57
    morpholine-4-carbaldehyde 29.1
    sulfolane 19.24
    2,2,4-trimethylpentane 0.49
    2-methyltetrahydrofuran 16.36
    n-hexyl acetate 15.84
    isooctane 0.51
    2-(2-butoxyethoxy)ethanol 26.15
    sec-butyl acetate 7.72
    tert-butyl acetate 17.25
    decalin 0.59
    glycerin 3.74
    diglyme 44.3
    acrylic acid 4.45
    isopropyl myristate 5.58
    n-butyric acid 11.1
    acetyl acetate 8.83
    di(2-ethylhexyl) phthalate 7.4
    ethyl propionate 8.4
    nitromethane 9.14
    1,2-diethoxyethane 14.63
    benzonitrile 6.52
    trioctyl phosphate 5.37
    1-bromopropane 4.68
    gamma-valerolactone 40.25
    n-decanol 4.26
    triethyl phosphate 6.79
    4-methyl-2-pentanol 5.7
    propionitrile 5.06
    vinylene carbonate 10.57
    1,1,2-trichlorotrifluoroethane 15.33
    DMS 10.51
    cumene 3.13
    2-octanol 4.7
    2-hexanone 9.3
    octyl acetate 7.06
    limonene 4.46
    1,2-dimethoxyethane 21.42
    ethyl orthosilicate 7.91
    tributyl phosphate 4.84
    diacetone alcohol 16.36
    N,N-dimethylaniline 8.93
    acrylonitrile 4.91
    aniline 9.02
    1,3-propanediol 7.61
    bromobenzene 8.07
    dibromomethane 7.19
    1,1,2,2-tetrachloroethane 13.28
    2-methyl-cyclohexyl acetate 11.06
    tetrabutyl urea 7.11
    diisobutyl methanol 4.98
    2-phenylethanol 14.35
    styrene 4.1
    dioctyl adipate 8.76
    dimethyl sulfate 10.08
    ethyl butyrate 10.28
    methyl lactate 7.47
    butyl lactate 13.42
    diethyl carbonate 6.59
    propanediol butyl ether 15.62
    triethyl orthoformate 12.16
    p-tert-butyltoluene 4.2
    methyl 4-tert-butylbenzoate 19.77
    morpholine 24.58
    tert-butylamine 3.77
    n-dodecanol 2.42
    dimethoxymethane 23.28
    ethylene carbonate 9.14
    cyrene 16.92
    2-ethoxyethyl acetate 23.75
    2-ethylhexyl acetate 12.19
    1,2,4-trichlorobenzene 10.48
    4-methylpyridine 14.97
    dibutyl ether 5.21
    2,6-dimethyl-4-heptanol 4.98
    DEF 12.22
    dimethyl isosorbide 31.84
    tetrachloroethylene 9.45
    eugenol 19.19
    triacetin 17.9
    span 80 15.67
    1,4-butanediol 3.07
    1,1-dichloroethane 7.29
    2-methyl-1-pentanol 6.32
    methyl formate 3.24
    2-methyl-1-butanol 6.85
    n-decane 0.42
    butyronitrile 6.16
    3,7-dimethyl-1-octanol 5.88
    1-chlorooctane 2.29
    1-chlorotetradecane 0.59
    n-nonane 0.34
    undecane 0.23
    tert-butylcyclohexane 0.66
    cyclooctane 0.31
    cyclopentanol 6.12
    tetrahydropyran 15.79
    tert-amyl methyl ether 7.23
    2,5,8-trioxanonane 26.26
    1-hexene 1.87
    2-isopropoxyethanol 12.15
    2,2,2-trifluoroethanol 3.63
    methyl butyrate 8.49

    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