(24E)-7alpha-Hydroxy-3-oxolanosta-8,24-dien-26-al

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  • Identifiers

    CAS number
    114020-55-2

    Molecular formula
    C30H46O3

    SMILES
    C[C@H](CC/C=C(\C)/C=O)[C@H]1CC[C@@]2([C@@]1(CCC3=C2[C@@H](C[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 85.66%
    Amber 53.87%
    Sandalwood 51.33%
    Dry 45.02%
    Cedar 43.58%
    Musk 40.32%
    Powdery 37.46%
    Vetiver 37.11%
    Orris 33.93%
    Animal 32.02%

     

    Flavor
    Woody 66.97%
    Herbal 40.12%
    Camphor 31.76%
    Balsam 29.94%
    Spicy 29.47%
    Wood 28.19%
    Spice 25.65%
    Pine 25.47%
    Minty 24.03%
    Bitter 23.99%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    6.06 (neutral)

    Molecular weight
    454.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    269°C

    Flash point

    • 240.44 ˚C est.

  • Synonyms

    • DTXSID901242226
    • 114020-55-2
    • (24E)-7alpha-Hydroxy-3-oxolanosta-8,24-dien-26-al
    • (7I+/-,24E)-7-Hydroxy-3-oxolanosta-8,24-dien-26-al
    • 114020-55-2

  • Applications

    The compound (24E)-7alpha-Hydroxy-3-oxolanosta-8,24-dien-26-al (CAS 114020-55-2) is primarily used as a building block and intermediate in pharmaceutical synthesis, particularly for steroidal or triterpenoid derivatives. It is sometimes evaluated for applications in cosmetics and personal care as a specialty intermediate or a fragrance-related precursor. In chemical R&D, it serves as a chiral scaffold for stereoselective transformations and the development of natural-product–inspired compounds. It is also explored in agricultural chemistry as a research intermediate for bioactive natural-product–derived agrochemicals. These uses are subject to applicable regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.18
    methanol 7.11
    isopropanol 8.82
    water 0.01
    ethyl acetate 4.43
    n-propanol 13.08
    acetone 7.22
    n-butanol 10.8
    acetonitrile 2.23
    DMF 33.43
    toluene 6.47
    isobutanol 7.72
    1,4-dioxane 16.27
    methyl acetate 4.26
    THF 24.42
    2-butanone 9.0
    n-pentanol 6.6
    sec-butanol 4.11
    n-hexane 0.21
    ethylene glycol 0.96
    NMP 20.91
    cyclohexane 0.25
    DMSO 8.09
    n-butyl acetate 5.29
    n-octanol 2.48
    chloroform 20.53
    n-propyl acetate 4.17
    acetic acid 5.46
    dichloromethane 10.07
    cyclohexanone 13.77
    propylene glycol 1.98
    isopropyl acetate 5.03
    DMAc 25.6
    2-ethoxyethanol 12.95
    isopentanol 6.92
    n-heptane 0.18
    ethyl formate 2.79
    1,2-dichloroethane 5.98
    n-hexanol 7.52
    2-methoxyethanol 18.48
    isobutyl acetate 4.37
    tetrachloromethane 3.02
    n-pentyl acetate 7.56
    transcutol 21.32
    n-heptanol 5.13
    ethylbenzene 3.01
    MIBK 6.16
    2-propoxyethanol 31.28
    tert-butanol 5.35
    MTBE 3.55
    2-butoxyethanol 18.15
    propionic acid 4.29
    o-xylene 3.26
    formic acid 2.11
    diethyl ether 5.23
    m-xylene 4.14
    p-xylene 3.36
    chlorobenzene 6.53
    dimethyl carbonate 4.98
    n-octane 0.08
    formamide 3.25
    cyclopentanone 17.03
    2-pentanone 7.75
    anisole 7.74
    cyclopentyl methyl ether 8.14
    gamma-butyrolactone 13.46
    1-methoxy-2-propanol 20.97
    pyridine 16.58
    3-pentanone 6.31
    furfural 13.45
    n-dodecane 0.04
    diethylene glycol 12.69
    diisopropyl ether 1.32
    tert-amyl alcohol 2.85
    acetylacetone 8.54
    n-hexadecane 0.05
    acetophenone 7.58
    methyl propionate 6.33
    isopentyl acetate 6.59
    trichloroethylene 15.69
    n-nonanol 3.12
    cyclohexanol 4.44
    benzyl alcohol 8.32
    2-ethylhexanol 3.04
    isooctanol 4.02
    dipropyl ether 3.73
    1,2-dichlorobenzene 6.07
    ethyl lactate 4.1
    propylene carbonate 6.45
    n-methylformamide 8.66
    2-pentanol 3.8
    n-pentane 0.23
    1-propoxy-2-propanol 18.21
    1-methoxy-2-propyl acetate 12.57
    2-(2-methoxypropoxy) propanol 10.56
    mesitylene 2.06
    ε-caprolactone 11.0
    p-cymene 1.85
    epichlorohydrin 17.08
    1,1,1-trichloroethane 6.11
    2-aminoethanol 4.53
    morpholine-4-carbaldehyde 29.28
    sulfolane 15.65
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 7.51
    n-hexyl acetate 7.1
    isooctane 0.14
    2-(2-butoxyethoxy)ethanol 13.97
    sec-butyl acetate 3.24
    tert-butyl acetate 5.83
    decalin 0.24
    glycerin 3.87
    diglyme 25.56
    acrylic acid 3.95
    isopropyl myristate 2.1
    n-butyric acid 8.19
    acetyl acetate 3.96
    di(2-ethylhexyl) phthalate 4.98
    ethyl propionate 3.99
    nitromethane 7.61
    1,2-diethoxyethane 6.45
    benzonitrile 5.8
    trioctyl phosphate 2.89
    1-bromopropane 3.54
    gamma-valerolactone 31.55
    n-decanol 1.63
    triethyl phosphate 3.29
    4-methyl-2-pentanol 2.98
    propionitrile 4.81
    vinylene carbonate 7.85
    1,1,2-trichlorotrifluoroethane 14.93
    DMS 6.49
    cumene 1.93
    2-octanol 2.21
    2-hexanone 6.08
    octyl acetate 2.99
    limonene 1.9
    1,2-dimethoxyethane 17.62
    ethyl orthosilicate 3.65
    tributyl phosphate 2.53
    diacetone alcohol 8.99
    N,N-dimethylaniline 5.77
    acrylonitrile 5.71
    aniline 8.02
    1,3-propanediol 9.06
    bromobenzene 6.54
    dibromomethane 6.92
    1,1,2,2-tetrachloroethane 12.83
    2-methyl-cyclohexyl acetate 5.9
    tetrabutyl urea 4.33
    diisobutyl methanol 1.72
    2-phenylethanol 11.57
    styrene 3.33
    dioctyl adipate 4.47
    dimethyl sulfate 7.63
    ethyl butyrate 4.15
    methyl lactate 6.04
    butyl lactate 8.39
    diethyl carbonate 2.81
    propanediol butyl ether 10.05
    triethyl orthoformate 5.03
    p-tert-butyltoluene 1.83
    methyl 4-tert-butylbenzoate 11.96
    morpholine 22.01
    tert-butylamine 2.46
    n-dodecanol 0.85
    dimethoxymethane 24.15
    ethylene carbonate 6.12
    cyrene 12.27
    2-ethoxyethyl acetate 12.15
    2-ethylhexyl acetate 5.09
    1,2,4-trichlorobenzene 8.82
    4-methylpyridine 13.55
    dibutyl ether 1.69
    2,6-dimethyl-4-heptanol 1.72
    DEF 8.54
    dimethyl isosorbide 18.36
    tetrachloroethylene 8.93
    eugenol 14.23
    triacetin 8.49
    span 80 8.6
    1,4-butanediol 3.41
    1,1-dichloroethane 5.79
    2-methyl-1-pentanol 4.39
    methyl formate 4.73
    2-methyl-1-butanol 5.64
    n-decane 0.12
    butyronitrile 4.79
    3,7-dimethyl-1-octanol 2.21
    1-chlorooctane 0.88
    1-chlorotetradecane 0.2
    n-nonane 0.1
    undecane 0.07
    tert-butylcyclohexane 0.23
    cyclooctane 0.12
    cyclopentanol 5.36
    tetrahydropyran 10.61
    tert-amyl methyl ether 2.51
    2,5,8-trioxanonane 15.03
    1-hexene 1.12
    2-isopropoxyethanol 8.81
    2,2,2-trifluoroethanol 2.69
    methyl butyrate 4.94

    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