Longispinogenin

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  • Identifiers

    CAS number
    465-94-1

    Molecular formula
    C30H50O3

    SMILES
    C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC(CC5)(C)C)CO)O)C)C)(C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 88.19%
    Amber 58.35%
    Cedar 50.43%
    Dry 50.18%
    Balsamic 48.74%
    Sandalwood 48.68%
    Sweet 48.36%
    Musk 43.06%
    Camphoreous 42.47%
    Earthy 41.79%

     

    Flavor
    Woody 72.35%
    Camphor 55.93%
    Sweet 55.01%
    Pine 54.84%
    Balsam 49.51%
    Earthy 48.42%
    Herbal 45.82%
    Spicy 41.26%
    Earth 38.47%
    Dry 37.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.0

    pKa est.
    6.92 (neutral)

    Molecular weight
    458.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    108°C

    Flash point

    • 261.54 ˚C est.

  • Synonyms

    • Longispinogenin
    • 465-94-1
    • UNII-71XG0082E9
    • LONGISPINOGEN
    • 71XG0082E9
    • (3S,4aR,5R,6aR,6bS,8S,8aR,12aS,14aR,14bR)-8,8a-Bis-hydroxymethyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydro-picen-3-ol
    • Picen-3-ol, 8,8a-bis-hydroxymethyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-eicosahydro-, (3S,4aR,5R,6aR,6bS,8S,8aR,12aS,14aR,14bR)
    • Olean-12-ene-3, 16 28-triol, (3beta,16beta)-
    • Olean-12-ene-3,16,28-triol, (3beta,16beta)-
    • RefChem:42367
    • OLEAN-12-ENE-3beta,16beta,28-TRIOL
    • (3S,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,8-diol
    • SCHEMBL179854
    • orb1696379
    • AKOS040752666
    • HY-133805
    • CS-0133352
    • OLEAN-12-ENE-3.BETA.,16.BETA.,28-TRIOL
    • Q27265993
    • 465-94-1

  • Applications

    Longispinogenin (CAS 465-94-1) is a steroidal sapogenin-based material primarily used as an intermediate in pharmaceutical synthesis, serving as a starting point for the preparation of steroidal intermediates and related compounds. It is explored as a feedstock for sapogenin-derived surfactants and related materials used in cosmetics, personal care formulations, and household cleaning products. In industrial manufacturing, it can function as a bio-based building block for the synthesis of specialty chemicals and for enabling asymmetric synthesis based on its chiral steroidal framework. It may be developed into steroidal derivatives suitable as monomers or additives for polymer and plastic formulations. Actual applications depend on local regulations and formulation-specific limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.59
    methanol 3.85
    isopropanol 3.47
    water 0.01
    ethyl acetate 4.85
    n-propanol 6.99
    acetone 4.75
    n-butanol 6.75
    acetonitrile 1.3
    DMF 30.46
    toluene 6.27
    isobutanol 4.79
    1,4-dioxane 23.58
    methyl acetate 3.68
    THF 48.78
    2-butanone 6.76
    n-pentanol 5.38
    sec-butanol 2.77
    n-hexane 0.28
    ethylene glycol 0.53
    NMP 25.98
    cyclohexane 0.27
    DMSO 8.62
    n-butyl acetate 5.78
    n-octanol 4.02
    chloroform 13.52
    n-propyl acetate 3.81
    acetic acid 3.39
    dichloromethane 6.71
    cyclohexanone 11.61
    propylene glycol 1.49
    isopropyl acetate 5.19
    DMAc 25.28
    2-ethoxyethanol 11.12
    isopentanol 5.1
    n-heptane 0.36
    ethyl formate 2.22
    1,2-dichloroethane 4.36
    n-hexanol 6.26
    2-methoxyethanol 15.13
    isobutyl acetate 4.24
    tetrachloromethane 2.06
    n-pentyl acetate 9.17
    transcutol 34.28
    n-heptanol 7.25
    ethylbenzene 3.1
    MIBK 6.26
    2-propoxyethanol 28.14
    tert-butanol 2.99
    MTBE 4.26
    2-butoxyethanol 21.35
    propionic acid 3.15
    o-xylene 3.24
    formic acid 1.53
    diethyl ether 5.74
    m-xylene 4.74
    p-xylene 3.05
    chlorobenzene 5.31
    dimethyl carbonate 5.11
    n-octane 0.13
    formamide 2.25
    cyclopentanone 17.88
    2-pentanone 7.43
    anisole 9.17
    cyclopentyl methyl ether 13.17
    gamma-butyrolactone 14.21
    1-methoxy-2-propanol 19.46
    pyridine 17.31
    3-pentanone 5.65
    furfural 12.95
    n-dodecane 0.06
    diethylene glycol 10.71
    diisopropyl ether 1.8
    tert-amyl alcohol 2.6
    acetylacetone 8.74
    n-hexadecane 0.07
    acetophenone 7.81
    methyl propionate 6.94
    isopentyl acetate 7.27
    trichloroethylene 12.36
    n-nonanol 4.78
    cyclohexanol 3.68
    benzyl alcohol 7.6
    2-ethylhexanol 3.88
    isooctanol 5.9
    dipropyl ether 5.96
    1,2-dichlorobenzene 4.87
    ethyl lactate 3.79
    propylene carbonate 5.98
    n-methylformamide 5.99
    2-pentanol 3.15
    n-pentane 0.27
    1-propoxy-2-propanol 20.19
    1-methoxy-2-propyl acetate 15.93
    2-(2-methoxypropoxy) propanol 14.16
    mesitylene 2.43
    ε-caprolactone 11.34
    p-cymene 2.6
    epichlorohydrin 18.6
    1,1,1-trichloroethane 3.9
    2-aminoethanol 2.58
    morpholine-4-carbaldehyde 37.09
    sulfolane 17.55
    2,2,4-trimethylpentane 0.23
    2-methyltetrahydrofuran 12.2
    n-hexyl acetate 9.34
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 20.95
    sec-butyl acetate 3.51
    tert-butyl acetate 7.07
    decalin 0.33
    glycerin 3.16
    diglyme 34.4
    acrylic acid 3.06
    isopropyl myristate 2.7
    n-butyric acid 5.89
    acetyl acetate 3.86
    di(2-ethylhexyl) phthalate 5.12
    ethyl propionate 4.14
    nitromethane 5.55
    1,2-diethoxyethane 9.2
    benzonitrile 4.68
    trioctyl phosphate 3.5
    1-bromopropane 2.59
    gamma-valerolactone 32.42
    n-decanol 2.43
    triethyl phosphate 3.61
    4-methyl-2-pentanol 2.91
    propionitrile 2.49
    vinylene carbonate 6.89
    1,1,2-trichlorotrifluoroethane 13.8
    DMS 6.71
    cumene 2.27
    2-octanol 3.16
    2-hexanone 5.23
    octyl acetate 4.03
    limonene 2.81
    1,2-dimethoxyethane 17.69
    ethyl orthosilicate 4.19
    tributyl phosphate 2.8
    diacetone alcohol 9.5
    N,N-dimethylaniline 7.68
    acrylonitrile 3.15
    aniline 7.36
    1,3-propanediol 5.29
    bromobenzene 5.05
    dibromomethane 4.37
    1,1,2,2-tetrachloroethane 9.99
    2-methyl-cyclohexyl acetate 6.21
    tetrabutyl urea 4.49
    diisobutyl methanol 2.58
    2-phenylethanol 10.37
    styrene 3.23
    dioctyl adipate 5.28
    dimethyl sulfate 8.58
    ethyl butyrate 4.92
    methyl lactate 5.98
    butyl lactate 9.55
    diethyl carbonate 2.95
    propanediol butyl ether 14.17
    triethyl orthoformate 6.14
    p-tert-butyltoluene 2.77
    methyl 4-tert-butylbenzoate 14.09
    morpholine 31.35
    tert-butylamine 1.6
    n-dodecanol 1.18
    dimethoxymethane 26.72
    ethylene carbonate 5.4
    cyrene 15.06
    2-ethoxyethyl acetate 14.8
    2-ethylhexyl acetate 5.83
    1,2,4-trichlorobenzene 7.27
    4-methylpyridine 12.43
    dibutyl ether 2.4
    2,6-dimethyl-4-heptanol 2.58
    DEF 10.18
    dimethyl isosorbide 23.93
    tetrachloroethylene 7.21
    eugenol 15.43
    triacetin 9.66
    span 80 12.81
    1,4-butanediol 2.11
    1,1-dichloroethane 3.46
    2-methyl-1-pentanol 4.07
    methyl formate 3.79
    2-methyl-1-butanol 4.65
    n-decane 0.18
    butyronitrile 2.86
    3,7-dimethyl-1-octanol 3.51
    1-chlorooctane 1.14
    1-chlorotetradecane 0.25
    n-nonane 0.15
    undecane 0.09
    tert-butylcyclohexane 0.36
    cyclooctane 0.18
    cyclopentanol 4.63
    tetrahydropyran 12.95
    tert-amyl methyl ether 3.57
    2,5,8-trioxanonane 20.41
    1-hexene 1.19
    2-isopropoxyethanol 8.33
    2,2,2-trifluoroethanol 1.68
    methyl butyrate 4.8

    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