Lup-20(29)-en-2-ol, (2alpha)-

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  • Identifiers

    CAS number
    254892-57-4

    Molecular formula
    C30H50O

    SMILES
    CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(C[C@H](CC5(C)C)O)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 89.17%
    Amber 56.12%
    Dry 51.77%
    Sweet 51.01%
    Cedar 45.85%
    Sandalwood 45.31%
    Musk 41.23%
    Spicy 38.89%
    Balsamic 36.1%
    Vetiver 34.82%

     

    Flavor
    Woody 69.85%
    Sweet 56.95%
    Dry 42.02%
    Pine 40.29%
    Camphor 39.97%
    Wood 38.02%
    Earthy 36.08%
    Balsam 35.62%
    Fresh 32.13%
    Fir needle 30.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.9

    pKa est.
    7.21 (neutral)

    Molecular weight
    426.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    477°C

    Flash point

    • 215.05 ˚C est.

  • Synonyms

    • 254892-57-4
    • (1R,3aR,5aR,5bR,7aS,10S,11aS,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta(a)chrysen-10-ol
    • (1R,3aR,5aR,5bR,7aS,10S,11aS,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-10-ol
    • RefChem:154318
    • Lup-20(29)-en-2-ol, (2alpha)-
    • Lup-20(29)-en-2alpha-ol
    • DTXSID801312579
    • Lup-20(29)-en-2-ol, (2I+/-)-
    • 254892-57-4

  • Applications

    Chemical name Lup-20(29)-en-2-ol, (2alpha)-; CAS 254892-57-4 is a lupane-type triterpenoid alcohol that is primarily used as a chiral building block and synthetic intermediate for the preparation of lupane-derived compounds in pharmaceutical and agrochemical R&D. It is also investigated as a bioactive scaffold in cosmetic and personal care research, where derivatives may be explored for functionalization or ingredient development. In industrial contexts, it can serve as a starting material for lupane-based materials in polymers and coatings and as a reference compound in analytical studies related to lupane skeletons. It may be evaluated for applications in specialty coatings or advanced polymers where a rigid, multifunctional lupane backbone is desirable.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.47
    methanol 3.85
    isopropanol 10.95
    water 0.06
    ethyl acetate 20.8
    n-propanol 16.31
    acetone 19.17
    n-butanol 21.02
    acetonitrile 7.79
    DMF 33.07
    toluene 44.95
    isobutanol 14.52
    1,4-dioxane 44.24
    methyl acetate 12.04
    THF 129.74
    2-butanone 21.38
    n-pentanol 12.35
    sec-butanol 8.41
    n-hexane 1.44
    ethylene glycol 0.99
    NMP 45.9
    cyclohexane 2.09
    DMSO 12.07
    n-butyl acetate 23.99
    n-octanol 12.0
    chloroform 55.36
    n-propyl acetate 15.29
    acetic acid 8.74
    dichloromethane 28.5
    cyclohexanone 43.41
    propylene glycol 2.68
    isopropyl acetate 26.31
    DMAc 39.65
    2-ethoxyethanol 17.88
    isopentanol 20.06
    n-heptane 2.03
    ethyl formate 6.61
    1,2-dichloroethane 17.77
    n-hexanol 17.88
    2-methoxyethanol 23.25
    isobutyl acetate 19.51
    tetrachloromethane 10.05
    n-pentyl acetate 32.37
    transcutol 77.76
    n-heptanol 19.43
    ethylbenzene 14.06
    MIBK 30.79
    2-propoxyethanol 52.27
    tert-butanol 12.59
    MTBE 17.8
    2-butoxyethanol 44.49
    propionic acid 8.64
    o-xylene 18.79
    formic acid 2.08
    diethyl ether 23.74
    m-xylene 32.52
    p-xylene 15.55
    chlorobenzene 30.99
    dimethyl carbonate 13.92
    n-octane 0.6
    formamide 3.38
    cyclopentanone 58.35
    2-pentanone 29.5
    anisole 32.85
    cyclopentyl methyl ether 48.83
    gamma-butyrolactone 45.35
    1-methoxy-2-propanol 39.17
    pyridine 49.49
    3-pentanone 21.7
    furfural 38.78
    n-dodecane 0.26
    diethylene glycol 17.37
    diisopropyl ether 10.58
    tert-amyl alcohol 8.82
    acetylacetone 37.41
    n-hexadecane 0.34
    acetophenone 27.64
    methyl propionate 21.29
    isopentyl acetate 34.17
    trichloroethylene 48.8
    n-nonanol 13.93
    cyclohexanol 14.98
    benzyl alcohol 20.65
    2-ethylhexanol 14.66
    isooctanol 18.24
    dipropyl ether 24.26
    1,2-dichlorobenzene 28.07
    ethyl lactate 11.07
    propylene carbonate 24.77
    n-methylformamide 8.62
    2-pentanol 13.49
    n-pentane 2.03
    1-propoxy-2-propanol 47.43
    1-methoxy-2-propyl acetate 53.94
    2-(2-methoxypropoxy) propanol 35.17
    mesitylene 16.84
    ε-caprolactone 39.67
    p-cymene 14.23
    epichlorohydrin 49.92
    1,1,1-trichloroethane 24.42
    2-aminoethanol 4.33
    morpholine-4-carbaldehyde 56.46
    sulfolane 44.66
    2,2,4-trimethylpentane 1.32
    2-methyltetrahydrofuran 42.07
    n-hexyl acetate 34.53
    isooctane 1.57
    2-(2-butoxyethoxy)ethanol 45.83
    sec-butyl acetate 16.18
    tert-butyl acetate 36.22
    decalin 1.75
    glycerin 5.28
    diglyme 78.46
    acrylic acid 7.37
    isopropyl myristate 13.47
    n-butyric acid 20.55
    acetyl acetate 18.29
    di(2-ethylhexyl) phthalate 18.45
    ethyl propionate 17.31
    nitromethane 15.3
    1,2-diethoxyethane 27.82
    benzonitrile 20.28
    trioctyl phosphate 12.47
    1-bromopropane 13.53
    gamma-valerolactone 85.99
    n-decanol 8.09
    triethyl phosphate 14.37
    4-methyl-2-pentanol 13.4
    propionitrile 12.43
    vinylene carbonate 24.71
    1,1,2-trichlorotrifluoroethane 31.65
    DMS 22.29
    cumene 10.19
    2-octanol 10.64
    2-hexanone 18.35
    octyl acetate 15.88
    limonene 14.82
    1,2-dimethoxyethane 34.73
    ethyl orthosilicate 16.8
    tributyl phosphate 11.26
    diacetone alcohol 33.55
    N,N-dimethylaniline 24.7
    acrylonitrile 12.3
    aniline 29.52
    1,3-propanediol 11.53
    bromobenzene 37.03
    dibromomethane 20.19
    1,1,2,2-tetrachloroethane 38.72
    2-methyl-cyclohexyl acetate 26.82
    tetrabutyl urea 16.58
    diisobutyl methanol 12.25
    2-phenylethanol 31.33
    styrene 15.9
    dioctyl adipate 20.85
    dimethyl sulfate 20.18
    ethyl butyrate 22.25
    methyl lactate 13.03
    butyl lactate 27.74
    diethyl carbonate 13.58
    propanediol butyl ether 28.65
    triethyl orthoformate 25.18
    p-tert-butyltoluene 14.79
    methyl 4-tert-butylbenzoate 46.22
    morpholine 50.17
    tert-butylamine 8.97
    n-dodecanol 4.74
    dimethoxymethane 47.02
    ethylene carbonate 20.49
    cyrene 36.23
    2-ethoxyethyl acetate 43.06
    2-ethylhexyl acetate 27.15
    1,2,4-trichlorobenzene 37.23
    4-methylpyridine 47.12
    dibutyl ether 11.32
    2,6-dimethyl-4-heptanol 12.25
    DEF 26.77
    dimethyl isosorbide 68.06
    tetrachloroethylene 24.64
    eugenol 43.62
    triacetin 34.08
    span 80 31.95
    1,4-butanediol 4.03
    1,1-dichloroethane 19.21
    2-methyl-1-pentanol 12.49
    methyl formate 6.24
    2-methyl-1-butanol 15.94
    n-decane 0.86
    butyronitrile 15.6
    3,7-dimethyl-1-octanol 13.72
    1-chlorooctane 5.89
    1-chlorotetradecane 1.37
    n-nonane 0.74
    undecane 0.44
    tert-butylcyclohexane 1.93
    cyclooctane 1.16
    cyclopentanol 14.73
    tetrahydropyran 43.19
    tert-amyl methyl ether 14.9
    2,5,8-trioxanonane 46.12
    1-hexene 5.54
    2-isopropoxyethanol 17.21
    2,2,2-trifluoroethanol 4.96
    methyl butyrate 17.71

    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