Ruscogenin

Overview IFRA Request a quote

  • Identifiers

    CAS number
    472-11-7

    Molecular formula
    C27H42O4

    SMILES
    C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5([C@@H](C[C@@H](C6)O)O)C)C)C)OC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 57.12%
    Spicy 41.52%
    Herbal 38.37%
    Earthy 32.31%
    Sweet 32.13%
    Balsamic 32.0%
    Mint 28.68%
    Amber 28.58%
    Fresh 27.28%
    Floral 26.62%

     

    Flavor
    Bitter 42.41%
    Fatty 33.76%
    Earthy 31.01%
    Herbal 24.69%
    Fruit 24.67%
    Spicy 24.28%
    Fruity 23.63%
    Fresh 23.32%
    Cedarleaf 23.31%
    Beet 22.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    6.0 (neutral)

    Molecular weight
    430.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    111°C

    Flash point

    • 217.49 ˚C est.

  • Synonyms

    • Ruscogenin
    • 472-11-7
    • BXI92R2VUJ
    • (25R)-spirost-5-en-1beta,3beta-diol
    • (25R)-Spirost-5-ene-1beta,3beta-diol
    • DTXSID401019319
    • (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14,16-diol
    • (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-18-ene-6,2'-oxane)-14,16-diol
    • RefChem:180328
    • (1 beta,3 beta,25R)-spirost-5-ene-1,3-diol
    • DTXCID701477295
    • SPIROST-5-ENE-1,3-DIOL, (1BETA,3BETA,25R)-
    • 207-447-2
    • C27H42O4
    • (1beta,3beta,25R)-Spirost-5-ene-1,3-diol
    • MFCD00210550
    • UNII-BXI92R2VUJ
    • Ruscogenins
    • Ruscogenins CRS
    • Spirost-5-ene-1,3-diol, (1b,3b,25R)-
    • QMQIQBOGXYYATH-IDABPMKMSA-N
    • Ruscorectal (TN)
    • EINECS 207-447-2
    • 25(R)-ruscogenin
    • S9183
    • (1|A,3|A,25R)-Spirost-5-ene-1,3-diol
    • RUSCOGENIN [MART.]
    • RUSCOGENIN [WHO-DD]
    • SCHEMBL147884
    • CHEBI:8913
    • orb1300227
    • Spirost-5-ene-1,3-diol, (1.beta.,3.beta.,25R)-
    • CHEMBL1169820
    • Ruscogenin, >=98% (HPLC)
    • 25D-Spirost-5-ene-1b,3b-diol
    • HY-N0496
    • LMST01080038
    • (25R)-Spirost-5-ene-1b,3b-diol
    • CCG-269015
    • EBC-157222
    • FR27770
    • AC-34398
    • DA-67322
    • (1b,3b,25R)-Spirost-5-ene-1,3-diol
    • CS-0009017
    • NS00010158
    • C08909
    • D08498
    • (1?\,3?\,25R)-Spirost-5-ene-1\,3-diol
    • (25R)-SPIROST-5-ENE-1.BETA.,3.BETA.-DIOL
    • Q27108184
    • SPIROST-5-ENE-1.BETA.,3.BETA.-DIOL, (25R)-
    • Z2037319104
    • (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,14R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-tetrahydropyran]-14,16-diol
    • 472-11-7

  • Applications

    Ruscogenin (CAS 472-11-7), a steroidal sapogenin derived from plant sources such as Ruscus aculeatus (butcher's broom), is used as an intermediate or building block for the synthesis of steroidal compounds in pharmaceutical manufacturing; it is studied as a potential anti-inflammatory and vasoprotective active ingredient in cosmetics/personal care; it serves as an analytical reference standard and research material in natural products chemistry; and it may provide a foundation for the synthesis of glycoside or saponin derivatives.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.17
    methanol 9.92
    isopropanol 4.49
    water 0.36
    ethyl acetate 14.71
    n-propanol 9.99
    acetone 20.18
    n-butanol 12.82
    acetonitrile 22.93
    DMF 25.02
    toluene 20.07
    isobutanol 6.62
    1,4-dioxane 33.12
    methyl acetate 10.7
    THF 65.39
    2-butanone 15.5
    n-pentanol 12.57
    sec-butanol 1.56
    n-hexane 0.37
    ethylene glycol 2.83
    NMP 40.26
    cyclohexane 0.92
    DMSO 32.48
    n-butyl acetate 16.76
    n-octanol 8.75
    chloroform 50.65
    n-propyl acetate 12.64
    acetic acid 21.78
    dichloromethane 33.6
    cyclohexanone 41.51
    propylene glycol 2.19
    isopropyl acetate 15.86
    DMAc 36.24
    2-ethoxyethanol 27.22
    isopentanol 11.24
    n-heptane 0.57
    ethyl formate 12.13
    1,2-dichloroethane 19.12
    n-hexanol 15.32
    2-methoxyethanol 30.22
    isobutyl acetate 14.38
    tetrachloromethane 8.15
    n-pentyl acetate 22.2
    transcutol 59.48
    n-heptanol 15.29
    ethylbenzene 6.88
    MIBK 19.25
    2-propoxyethanol 52.81
    tert-butanol 3.68
    MTBE 3.42
    2-butoxyethanol 42.62
    propionic acid 9.47
    o-xylene 9.44
    formic acid 11.7
    diethyl ether 8.33
    m-xylene 14.21
    p-xylene 9.09
    chlorobenzene 24.51
    dimethyl carbonate 15.09
    n-octane 0.23
    formamide 16.81
    cyclopentanone 46.98
    2-pentanone 20.13
    anisole 18.8
    cyclopentyl methyl ether 22.29
    gamma-butyrolactone 45.43
    1-methoxy-2-propanol 25.54
    pyridine 44.98
    3-pentanone 15.39
    furfural 48.54
    n-dodecane 0.28
    diethylene glycol 30.78
    diisopropyl ether 3.51
    tert-amyl alcohol 1.82
    acetylacetone 29.74
    n-hexadecane 0.36
    acetophenone 23.87
    methyl propionate 15.63
    isopentyl acetate 19.96
    trichloroethylene 45.1
    n-nonanol 11.12
    cyclohexanol 7.34
    benzyl alcohol 21.72
    2-ethylhexanol 9.5
    isooctanol 12.39
    dipropyl ether 8.83
    1,2-dichlorobenzene 23.07
    ethyl lactate 12.11
    propylene carbonate 22.35
    n-methylformamide 18.63
    2-pentanol 3.92
    n-pentane 0.43
    1-propoxy-2-propanol 28.85
    1-methoxy-2-propyl acetate 32.33
    2-(2-methoxypropoxy) propanol 27.06
    mesitylene 7.55
    ε-caprolactone 34.4
    p-cymene 6.67
    epichlorohydrin 48.03
    1,1,1-trichloroethane 15.37
    2-aminoethanol 7.36
    morpholine-4-carbaldehyde 54.47
    sulfolane 45.94
    2,2,4-trimethylpentane 0.3
    2-methyltetrahydrofuran 16.03
    n-hexyl acetate 22.34
    isooctane 0.41
    2-(2-butoxyethoxy)ethanol 38.27
    sec-butyl acetate 10.19
    tert-butyl acetate 16.2
    decalin 0.88
    glycerin 8.23
    diglyme 63.14
    acrylic acid 13.18
    isopropyl myristate 9.35
    n-butyric acid 22.93
    acetyl acetate 19.54
    di(2-ethylhexyl) phthalate 15.64
    ethyl propionate 12.31
    nitromethane 38.91
    1,2-diethoxyethane 15.31
    benzonitrile 26.93
    trioctyl phosphate 11.01
    1-bromopropane 7.84
    gamma-valerolactone 81.28
    n-decanol 6.89
    triethyl phosphate 10.32
    4-methyl-2-pentanol 5.87
    propionitrile 17.33
    vinylene carbonate 31.78
    1,1,2-trichlorotrifluoroethane 35.75
    DMS 15.65
    cumene 5.43
    2-octanol 5.64
    2-hexanone 14.9
    octyl acetate 12.78
    limonene 6.25
    1,2-dimethoxyethane 31.99
    ethyl orthosilicate 10.64
    tributyl phosphate 9.85
    diacetone alcohol 18.9
    N,N-dimethylaniline 13.18
    acrylonitrile 25.21
    aniline 21.15
    1,3-propanediol 15.28
    bromobenzene 24.24
    dibromomethane 22.02
    1,1,2,2-tetrachloroethane 29.76
    2-methyl-cyclohexyl acetate 18.17
    tetrabutyl urea 14.23
    diisobutyl methanol 5.52
    2-phenylethanol 29.6
    styrene 8.16
    dioctyl adipate 16.14
    dimethyl sulfate 20.82
    ethyl butyrate 14.33
    methyl lactate 15.15
    butyl lactate 20.53
    diethyl carbonate 10.35
    propanediol butyl ether 22.66
    triethyl orthoformate 14.67
    p-tert-butyltoluene 5.82
    methyl 4-tert-butylbenzoate 29.01
    morpholine 33.15
    tert-butylamine 2.12
    n-dodecanol 4.15
    dimethoxymethane 38.0
    ethylene carbonate 26.54
    cyrene 32.31
    2-ethoxyethyl acetate 32.24
    2-ethylhexyl acetate 16.11
    1,2,4-trichlorobenzene 27.36
    4-methylpyridine 34.63
    dibutyl ether 5.39
    2,6-dimethyl-4-heptanol 5.52
    DEF 19.78
    dimethyl isosorbide 44.84
    tetrachloroethylene 24.61
    eugenol 33.41
    triacetin 25.62
    span 80 23.58
    1,4-butanediol 8.24
    1,1-dichloroethane 12.97
    2-methyl-1-pentanol 9.69
    methyl formate 13.54
    2-methyl-1-butanol 6.79
    n-decane 0.58
    butyronitrile 17.2
    3,7-dimethyl-1-octanol 8.35
    1-chlorooctane 3.3
    1-chlorotetradecane 1.22
    n-nonane 0.4
    undecane 0.38
    tert-butylcyclohexane 0.63
    cyclooctane 0.52
    cyclopentanol 7.24
    tetrahydropyran 19.97
    tert-amyl methyl ether 3.22
    2,5,8-trioxanonane 42.16
    1-hexene 1.84
    2-isopropoxyethanol 19.57
    2,2,2-trifluoroethanol 13.59
    methyl butyrate 14.51

    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