9beta-9,19-Cyclolanostan-3beta-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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  • Identifiers

    CAS number
    20972-10-5

    Molecular formula
    C40H60O4

    SMILES
    C[C@H](CCCC(C)C)[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)OC(=O)C=CC6=CC(=C(C=C6)O)OC)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 78.08%
    Amber 49.79%
    Sandalwood 45.57%
    Balsamic 43.31%
    Dry 40.96%
    Musk 36.35%
    Vetiver 34.69%
    Cedar 33.62%
    Powdery 33.12%
    Spicy 28.93%

     

    Flavor
    Woody 56.94%
    Herbal 29.08%
    Balsam 28.81%
    Wood 26.06%
    Bitter 24.91%
    Camphor 23.34%
    Spice 23.15%
    Sandalwood 20.87%
    Warm 20.6%
    Mild 19.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.5

    pKa est.
    8.08 (weak base)

    Molecular weight
    604.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    659°C

    Flash point

    • 204.56 ˚C est.

  • Synonyms

    • 20972-10-5
    • DTXSID001319038
    • 9beta-9,19-Cyclolanostan-3beta-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    • (2aR,3R,5aS,5bS,7aR,9S,11aR,12aS)-2a,5a,8,8-tetramethyl-3-((R)-6-methylheptan-2-yl)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-9-yl 3-(4-hydroxy-3-methoxyphenyl)acrylate
    • 20972-10-5

  • Applications

    9beta-9,19-Cyclolanostan-3beta-yl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (CAS 20972-10-5) is used primarily in cosmetics and personal care as a lipid-compatible emollient and skin-conditioning agent; it can function as an antioxidant and stabilizer in lipid-based formulations due to the ferulate moiety; as a lipophilic steroid ester, it may serve as a pharmaceutical excipient or carrier in lipid-based drug delivery systems; and it can serve as an intermediate in the synthesis of other steroidal esters.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.62
    methanol 1.82
    isopropanol 2.28
    water 0.01
    ethyl acetate 2.7
    n-propanol 3.03
    acetone 4.78
    n-butanol 2.78
    acetonitrile 1.62
    DMF 5.51
    toluene 2.54
    isobutanol 2.29
    1,4-dioxane 5.79
    methyl acetate 2.63
    THF 11.43
    2-butanone 5.35
    n-pentanol 3.08
    sec-butanol 1.89
    n-hexane 0.21
    ethylene glycol 0.4
    NMP 8.42
    cyclohexane 0.23
    DMSO 4.96
    n-butyl acetate 3.48
    n-octanol 1.94
    chloroform 10.08
    n-propyl acetate 2.92
    acetic acid 3.98
    dichloromethane 6.46
    cyclohexanone 7.99
    propylene glycol 0.78
    isopropyl acetate 3.17
    DMAc 10.92
    2-ethoxyethanol 5.41
    isopentanol 2.49
    n-heptane 0.24
    ethyl formate 1.74
    1,2-dichloroethane 3.77
    n-hexanol 2.97
    2-methoxyethanol 5.14
    isobutyl acetate 3.12
    tetrachloromethane 2.02
    n-pentyl acetate 5.34
    transcutol 10.01
    n-heptanol 3.17
    ethylbenzene 1.6
    MIBK 4.05
    2-propoxyethanol 9.33
    tert-butanol 2.27
    MTBE 2.83
    2-butoxyethanol 8.29
    propionic acid 2.51
    o-xylene 1.69
    formic acid 1.16
    diethyl ether 2.73
    m-xylene 1.84
    p-xylene 2.0
    chlorobenzene 3.17
    dimethyl carbonate 2.38
    n-octane 0.13
    formamide 1.71
    cyclopentanone 8.78
    2-pentanone 4.53
    anisole 3.92
    cyclopentyl methyl ether 3.77
    gamma-butyrolactone 6.79
    1-methoxy-2-propanol 5.53
    pyridine 6.42
    3-pentanone 3.87
    furfural 5.83
    n-dodecane 0.08
    diethylene glycol 3.88
    diisopropyl ether 1.11
    tert-amyl alcohol 2.07
    acetylacetone 5.63
    n-hexadecane 0.09
    acetophenone 4.63
    methyl propionate 3.19
    isopentyl acetate 4.58
    trichloroethylene 8.1
    n-nonanol 2.45
    cyclohexanol 2.02
    benzyl alcohol 3.74
    2-ethylhexanol 1.95
    isooctanol 2.72
    dipropyl ether 2.64
    1,2-dichlorobenzene 3.09
    ethyl lactate 2.29
    propylene carbonate 3.38
    n-methylformamide 2.61
    2-pentanol 1.69
    n-pentane 0.19
    1-propoxy-2-propanol 6.49
    1-methoxy-2-propyl acetate 6.54
    2-(2-methoxypropoxy) propanol 6.37
    mesitylene 1.1
    ε-caprolactone 6.62
    p-cymene 1.38
    epichlorohydrin 8.39
    1,1,1-trichloroethane 4.2
    2-aminoethanol 1.37
    morpholine-4-carbaldehyde 8.95
    sulfolane 8.91
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 4.28
    n-hexyl acetate 5.18
    isooctane 0.15
    2-(2-butoxyethoxy)ethanol 7.16
    sec-butyl acetate 2.51
    tert-butyl acetate 4.4
    decalin 0.23
    glycerin 1.51
    diglyme 11.92
    acrylic acid 2.42
    isopropyl myristate 2.03
    n-butyric acid 3.9
    acetyl acetate 2.78
    di(2-ethylhexyl) phthalate 3.16
    ethyl propionate 2.68
    nitromethane 4.91
    1,2-diethoxyethane 4.26
    benzonitrile 2.81
    trioctyl phosphate 2.16
    1-bromopropane 2.24
    gamma-valerolactone 14.42
    n-decanol 1.46
    triethyl phosphate 2.25
    4-methyl-2-pentanol 1.51
    propionitrile 2.4
    vinylene carbonate 4.03
    1,1,2-trichlorotrifluoroethane 7.42
    DMS 3.63
    cumene 1.31
    2-octanol 1.58
    2-hexanone 4.35
    octyl acetate 2.68
    limonene 1.41
    1,2-dimethoxyethane 7.2
    ethyl orthosilicate 2.62
    tributyl phosphate 1.97
    diacetone alcohol 5.04
    N,N-dimethylaniline 3.26
    acrylonitrile 2.77
    aniline 3.03
    1,3-propanediol 2.69
    bromobenzene 3.24
    dibromomethane 4.4
    1,1,2,2-tetrachloroethane 6.69
    2-methyl-cyclohexyl acetate 4.12
    tetrabutyl urea 3.15
    diisobutyl methanol 1.36
    2-phenylethanol 5.03
    styrene 1.64
    dioctyl adipate 3.42
    dimethyl sulfate 4.1
    ethyl butyrate 2.96
    methyl lactate 2.57
    butyl lactate 4.69
    diethyl carbonate 1.97
    propanediol butyl ether 4.49
    triethyl orthoformate 3.39
    p-tert-butyltoluene 1.34
    methyl 4-tert-butylbenzoate 6.77
    morpholine 6.68
    tert-butylamine 1.16
    n-dodecanol 0.86
    dimethoxymethane 6.29
    ethylene carbonate 3.35
    cyrene 6.37
    2-ethoxyethyl acetate 7.77
    2-ethylhexyl acetate 3.7
    1,2,4-trichlorobenzene 4.4
    4-methylpyridine 5.17
    dibutyl ether 1.67
    2,6-dimethyl-4-heptanol 1.36
    DEF 4.25
    dimethyl isosorbide 9.5
    tetrachloroethylene 5.01
    eugenol 6.74
    triacetin 5.91
    span 80 5.08
    1,4-butanediol 1.52
    1,1-dichloroethane 3.42
    2-methyl-1-pentanol 2.64
    methyl formate 1.73
    2-methyl-1-butanol 2.26
    n-decane 0.19
    butyronitrile 2.36
    3,7-dimethyl-1-octanol 1.76
    1-chlorooctane 0.93
    1-chlorotetradecane 0.3
    n-nonane 0.15
    undecane 0.12
    tert-butylcyclohexane 0.24
    cyclooctane 0.13
    cyclopentanol 2.12
    tetrahydropyran 4.42
    tert-amyl methyl ether 2.18
    2,5,8-trioxanonane 7.87
    1-hexene 0.8
    2-isopropoxyethanol 4.73
    2,2,2-trifluoroethanol 2.1
    methyl butyrate 3.12

    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