(3beta,25R)-3-Hydroxy-24-methylene-9,19-cyclolanostan-26-oic acid

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  • Identifiers

    CAS number
    13878-93-8

    Molecular formula
    C31H50O3

    SMILES
    C[C@H](CCC(=C)C(C)C(=O)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 89.51%
    Amber 56.4%
    Sandalwood 55.32%
    Dry 47.02%
    Cedar 45.91%
    Vetiver 41.12%
    Balsamic 37.62%
    Musk 36.51%
    Animal 32.76%
    Powdery 30.85%

     

    Flavor
    Woody 58.83%
    Wood 27.8%
    Balsam 25.17%
    Herbal 24.97%
    Pine 24.23%
    Sandalwood 23.02%
    Mild 22.74%
    Fir needle 22.37%
    Camphor 21.89%
    Odorless 21.43%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.2

    pKa est.
    7.37 (neutral)

    Molecular weight
    470.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    379°C

    Flash point

    • 201.5 ˚C est.

  • Synonyms

    • 13878-93-8
    • RefChem:207925
    • (3beta,25R)-3-Hydroxy-24-methylene-9,19-cyclolanostan-26-oic acid
    • DTXSID501179724
    • 3beta-Hydroxy-24-methylidene-9beta-9,19-cyclolanostan-26-oic acid
    • (3I(2),25R)-3-Hydroxy-24-methylene-9,19-cyclolanostan-26-oic acid
    • 13878-93-8

  • Applications

    The chemical (3beta,25R)-3-Hydroxy-24-methylene-9,19-cyclolanostan-26-oic acid (CAS 13878-93-8) is typically used as a synthetic intermediate and chiral building block for the preparation of steroidal compounds; in pharmaceutical research it is explored as a starting scaffold for semisynthetic derivatives of steroidal frameworks; in cosmetics and personal care it is evaluated as a bio-based triterpenoid intermediate that can be transformed into functionalized sterols for formulation components; in polymer science and coatings it may serve as a precursor for sterol-derived additives that contribute rigidity and renewable content; in academic and industrial research it is employed as a reference material and starting point for methods in steroid chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.47
    methanol 4.34
    isopropanol 6.69
    water 0.01
    ethyl acetate 4.05
    n-propanol 7.83
    acetone 4.47
    n-butanol 7.14
    acetonitrile 1.23
    DMF 12.95
    toluene 2.68
    isobutanol 4.91
    1,4-dioxane 10.45
    methyl acetate 2.75
    THF 25.64
    2-butanone 5.38
    n-pentanol 4.17
    sec-butanol 4.01
    n-hexane 0.16
    ethylene glycol 0.91
    NMP 9.9
    cyclohexane 0.15
    DMSO 6.01
    n-butyl acetate 4.57
    n-octanol 2.42
    chloroform 9.15
    n-propyl acetate 2.82
    acetic acid 4.61
    dichloromethane 4.49
    cyclohexanone 7.72
    propylene glycol 2.05
    isopropyl acetate 5.29
    DMAc 14.22
    2-ethoxyethanol 10.05
    isopentanol 5.64
    n-heptane 0.15
    ethyl formate 1.84
    1,2-dichloroethane 3.0
    n-hexanol 5.26
    2-methoxyethanol 15.96
    isobutyl acetate 3.12
    tetrachloromethane 1.64
    n-pentyl acetate 6.35
    transcutol 27.6
    n-heptanol 4.54
    ethylbenzene 1.33
    MIBK 5.79
    2-propoxyethanol 24.39
    tert-butanol 5.17
    MTBE 4.77
    2-butoxyethanol 16.47
    propionic acid 3.35
    o-xylene 1.46
    formic acid 1.85
    diethyl ether 4.61
    m-xylene 2.09
    p-xylene 1.36
    chlorobenzene 2.57
    dimethyl carbonate 3.16
    n-octane 0.07
    formamide 2.64
    cyclopentanone 9.79
    2-pentanone 6.0
    anisole 4.54
    cyclopentyl methyl ether 6.14
    gamma-butyrolactone 8.59
    1-methoxy-2-propanol 20.89
    pyridine 7.42
    3-pentanone 4.03
    furfural 7.45
    n-dodecane 0.04
    diethylene glycol 11.47
    diisopropyl ether 1.58
    tert-amyl alcohol 3.85
    acetylacetone 7.34
    n-hexadecane 0.04
    acetophenone 4.15
    methyl propionate 4.42
    isopentyl acetate 6.25
    trichloroethylene 7.44
    n-nonanol 3.0
    cyclohexanol 3.12
    benzyl alcohol 4.36
    2-ethylhexanol 2.45
    isooctanol 3.75
    dipropyl ether 3.3
    1,2-dichlorobenzene 2.53
    ethyl lactate 3.02
    propylene carbonate 4.46
    n-methylformamide 4.43
    2-pentanol 3.67
    n-pentane 0.21
    1-propoxy-2-propanol 16.26
    1-methoxy-2-propyl acetate 12.77
    2-(2-methoxypropoxy) propanol 10.69
    mesitylene 1.17
    ε-caprolactone 7.66
    p-cymene 1.16
    epichlorohydrin 11.55
    1,1,1-trichloroethane 3.42
    2-aminoethanol 3.78
    morpholine-4-carbaldehyde 16.63
    sulfolane 10.25
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 7.36
    n-hexyl acetate 6.38
    isooctane 0.16
    2-(2-butoxyethoxy)ethanol 14.43
    sec-butyl acetate 2.75
    tert-butyl acetate 7.12
    decalin 0.16
    glycerin 4.17
    diglyme 24.09
    acrylic acid 2.79
    isopropyl myristate 1.88
    n-butyric acid 6.62
    acetyl acetate 3.32
    di(2-ethylhexyl) phthalate 3.28
    ethyl propionate 3.05
    nitromethane 5.22
    1,2-diethoxyethane 6.64
    benzonitrile 2.41
    trioctyl phosphate 2.22
    1-bromopropane 1.96
    gamma-valerolactone 21.51
    n-decanol 1.55
    triethyl phosphate 2.36
    4-methyl-2-pentanol 3.13
    propionitrile 2.31
    vinylene carbonate 4.47
    1,1,2-trichlorotrifluoroethane 10.71
    DMS 4.61
    cumene 0.99
    2-octanol 2.15
    2-hexanone 3.87
    octyl acetate 2.58
    limonene 1.33
    1,2-dimethoxyethane 12.16
    ethyl orthosilicate 2.84
    tributyl phosphate 1.89
    diacetone alcohol 9.75
    N,N-dimethylaniline 3.48
    acrylonitrile 2.57
    aniline 4.1
    1,3-propanediol 7.71
    bromobenzene 2.27
    dibromomethane 3.04
    1,1,2,2-tetrachloroethane 6.37
    2-methyl-cyclohexyl acetate 4.17
    tetrabutyl urea 2.82
    diisobutyl methanol 1.9
    2-phenylethanol 7.23
    styrene 1.37
    dioctyl adipate 3.13
    dimethyl sulfate 4.94
    ethyl butyrate 3.39
    methyl lactate 5.04
    butyl lactate 7.08
    diethyl carbonate 2.09
    propanediol butyl ether 10.17
    triethyl orthoformate 4.36
    p-tert-butyltoluene 1.31
    methyl 4-tert-butylbenzoate 9.4
    morpholine 15.1
    tert-butylamine 2.39
    n-dodecanol 0.78
    dimethoxymethane 15.05
    ethylene carbonate 3.84
    cyrene 8.84
    2-ethoxyethyl acetate 11.37
    2-ethylhexyl acetate 4.49
    1,2,4-trichlorobenzene 3.64
    4-methylpyridine 6.24
    dibutyl ether 1.62
    2,6-dimethyl-4-heptanol 1.9
    DEF 5.82
    dimethyl isosorbide 17.15
    tetrachloroethylene 4.7
    eugenol 10.45
    triacetin 7.26
    span 80 8.76
    1,4-butanediol 2.49
    1,1-dichloroethane 3.05
    2-methyl-1-pentanol 3.42
    methyl formate 2.25
    2-methyl-1-butanol 4.5
    n-decane 0.1
    butyronitrile 2.89
    3,7-dimethyl-1-octanol 2.35
    1-chlorooctane 0.69
    1-chlorotetradecane 0.16
    n-nonane 0.08
    undecane 0.06
    tert-butylcyclohexane 0.18
    cyclooctane 0.08
    cyclopentanol 3.67
    tetrahydropyran 7.28
    tert-amyl methyl ether 3.42
    2,5,8-trioxanonane 14.05
    1-hexene 0.68
    2-isopropoxyethanol 7.36
    2,2,2-trifluoroethanol 2.23
    methyl butyrate 3.41

    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