Urs-20-en-12beta-ol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    20545-50-0

    Molecular formula
    C30H50O

    SMILES
    C[C@@H]1[C@H]2[C@H]3[C@@H](C[C@@H]4[C@]5(CCCC([C@@H]5CC[C@]4([C@@]3(CC[C@]2(CC=C1C)C)C)C)(C)C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 87.98%
    Amber 55.18%
    Dry 52.08%
    Cedar 46.81%
    Spicy 46.6%
    Sandalwood 44.78%
    Sweet 43.0%
    Musk 38.61%
    Balsamic 37.69%
    Vetiver 36.11%

     

    Flavor
    Woody 70.61%
    Sweet 59.19%
    Camphor 48.81%
    Pine 47.25%
    Dry 44.56%
    Earthy 44.52%
    Balsam 42.31%
    Herbal 37.57%
    Fresh 36.48%
    Wood 34.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.1

    pKa est.
    6.92 (neutral)

    Molecular weight
    426.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    488°C

    Flash point

    • 214.93 ˚C est.

  • Synonyms

    • Urs-20-en-12beta-ol
    • Urs-20-en-12I(2)-ol
    • DTXSID301316764
    • 20545-50-0
    • 20545-50-0

  • Applications

    Urs-20-en-12beta-ol, CAS 20545-50-0, is a triterpenoid alcohol typically used as an intermediate or building block in the synthesis of more complex terpenoids and natural-product derivatives; it may serve as a fragrance ingredient or fixative in perfumery and cosmetic formulations due to its lipophilic character; its lipophilicity also supports use as a starting material for polymer and coating applications in industrial manufacturing; it is sometimes evaluated as a precursor in semi-synthetic routes to terpenoid-related pharmaceutical compounds under appropriate regulatory and formulation controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.96
    methanol 1.8
    isopropanol 4.05
    water 0.01
    ethyl acetate 9.42
    n-propanol 7.0
    acetone 8.08
    n-butanol 8.87
    acetonitrile 2.24
    DMF 17.8
    toluene 22.08
    isobutanol 6.65
    1,4-dioxane 22.89
    methyl acetate 6.01
    THF 41.8
    2-butanone 11.81
    n-pentanol 7.06
    sec-butanol 4.11
    n-hexane 1.16
    ethylene glycol 0.42
    NMP 27.62
    cyclohexane 1.51
    DMSO 5.82
    n-butyl acetate 13.38
    n-octanol 7.98
    chloroform 25.6
    n-propyl acetate 7.91
    acetic acid 3.25
    dichloromethane 13.55
    cyclohexanone 23.52
    propylene glycol 0.94
    isopropyl acetate 11.65
    DMAc 27.0
    2-ethoxyethanol 8.69
    isopentanol 8.96
    n-heptane 1.51
    ethyl formate 3.06
    1,2-dichloroethane 10.08
    n-hexanol 10.54
    2-methoxyethanol 9.01
    isobutyl acetate 10.51
    tetrachloromethane 5.88
    n-pentyl acetate 19.11
    transcutol 34.33
    n-heptanol 12.42
    ethylbenzene 9.97
    MIBK 13.97
    2-propoxyethanol 24.86
    tert-butanol 4.77
    MTBE 8.94
    2-butoxyethanol 24.62
    propionic acid 3.86
    o-xylene 12.0
    formic acid 0.87
    diethyl ether 11.6
    m-xylene 16.83
    p-xylene 10.97
    chlorobenzene 16.03
    dimethyl carbonate 6.95
    n-octane 0.53
    formamide 1.38
    cyclopentanone 26.85
    2-pentanone 14.05
    anisole 19.39
    cyclopentyl methyl ether 22.25
    gamma-butyrolactone 18.72
    1-methoxy-2-propanol 13.41
    pyridine 25.39
    3-pentanone 13.08
    furfural 16.24
    n-dodecane 0.24
    diethylene glycol 7.67
    diisopropyl ether 5.81
    tert-amyl alcohol 4.62
    acetylacetone 16.01
    n-hexadecane 0.31
    acetophenone 16.43
    methyl propionate 10.92
    isopentyl acetate 18.52
    trichloroethylene 23.92
    n-nonanol 9.8
    cyclohexanol 7.41
    benzyl alcohol 11.19
    2-ethylhexanol 9.36
    isooctanol 11.59
    dipropyl ether 13.69
    1,2-dichlorobenzene 15.41
    ethyl lactate 5.43
    propylene carbonate 10.22
    n-methylformamide 4.04
    2-pentanol 6.08
    n-pentane 1.35
    1-propoxy-2-propanol 22.66
    1-methoxy-2-propyl acetate 26.18
    2-(2-methoxypropoxy) propanol 19.94
    mesitylene 9.74
    ε-caprolactone 19.73
    p-cymene 9.4
    epichlorohydrin 21.62
    1,1,1-trichloroethane 12.71
    2-aminoethanol 1.72
    morpholine-4-carbaldehyde 32.08
    sulfolane 20.56
    2,2,4-trimethylpentane 0.99
    2-methyltetrahydrofuran 18.31
    n-hexyl acetate 20.21
    isooctane 1.06
    2-(2-butoxyethoxy)ethanol 25.5
    sec-butyl acetate 8.57
    tert-butyl acetate 15.63
    decalin 1.53
    glycerin 1.99
    diglyme 42.26
    acrylic acid 3.22
    isopropyl myristate 8.35
    n-butyric acid 8.16
    acetyl acetate 8.09
    di(2-ethylhexyl) phthalate 11.32
    ethyl propionate 9.12
    nitromethane 5.71
    1,2-diethoxyethane 15.12
    benzonitrile 10.41
    trioctyl phosphate 7.87
    1-bromopropane 8.23
    gamma-valerolactone 38.7
    n-decanol 5.78
    triethyl phosphate 9.01
    4-methyl-2-pentanol 6.34
    propionitrile 5.51
    vinylene carbonate 10.54
    1,1,2-trichlorotrifluoroethane 14.51
    DMS 13.62
    cumene 7.8
    2-octanol 6.67
    2-hexanone 10.54
    octyl acetate 9.94
    limonene 9.45
    1,2-dimethoxyethane 17.81
    ethyl orthosilicate 10.35
    tributyl phosphate 6.88
    diacetone alcohol 14.49
    N,N-dimethylaniline 17.29
    acrylonitrile 5.17
    aniline 15.02
    1,3-propanediol 4.11
    bromobenzene 19.47
    dibromomethane 10.79
    1,1,2,2-tetrachloroethane 19.88
    2-methyl-cyclohexyl acetate 15.82
    tetrabutyl urea 10.84
    diisobutyl methanol 7.18
    2-phenylethanol 18.08
    styrene 10.42
    dioctyl adipate 12.39
    dimethyl sulfate 10.38
    ethyl butyrate 11.9
    methyl lactate 5.68
    butyl lactate 15.17
    diethyl carbonate 7.58
    propanediol butyl ether 13.71
    triethyl orthoformate 14.34
    p-tert-butyltoluene 9.79
    methyl 4-tert-butylbenzoate 27.88
    morpholine 24.37
    tert-butylamine 3.97
    n-dodecanol 3.37
    dimethoxymethane 19.77
    ethylene carbonate 9.08
    cyrene 19.04
    2-ethoxyethyl acetate 24.4
    2-ethylhexyl acetate 16.32
    1,2,4-trichlorobenzene 21.0
    4-methylpyridine 23.52
    dibutyl ether 6.93
    2,6-dimethyl-4-heptanol 7.18
    DEF 15.48
    dimethyl isosorbide 36.61
    tetrachloroethylene 13.3
    eugenol 26.29
    triacetin 18.51
    span 80 17.87
    1,4-butanediol 1.86
    1,1-dichloroethane 9.23
    2-methyl-1-pentanol 7.64
    methyl formate 2.92
    2-methyl-1-butanol 8.22
    n-decane 0.73
    butyronitrile 6.25
    3,7-dimethyl-1-octanol 8.24
    1-chlorooctane 4.35
    1-chlorotetradecane 1.11
    n-nonane 0.62
    undecane 0.39
    tert-butylcyclohexane 1.58
    cyclooctane 0.96
    cyclopentanol 6.6
    tetrahydropyran 21.59
    tert-amyl methyl ether 8.06
    2,5,8-trioxanonane 26.9
    1-hexene 3.95
    2-isopropoxyethanol 8.93
    2,2,2-trifluoroethanol 1.91
    methyl butyrate 9.38

    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