18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol

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  • Identifiers

    CAS number
    74715-49-4

    Molecular formula
    C30H50O3

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 85.48%
    Sweet 53.92%
    Sandalwood 52.62%
    Balsamic 50.93%
    Amber 50.68%
    Cedar 44.28%
    Dry 44.24%
    Spicy 41.49%
    Earthy 40.93%
    Camphoreous 40.49%

     

    Flavor
    Woody 66.8%
    Sweet 54.75%
    Herbal 52.42%
    Pine 52.06%
    Balsam 50.17%
    Camphor 49.05%
    Earthy 47.25%
    Spicy 39.85%
    Earth 36.09%
    Fresh 34.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.9

    pKa est.
    6.85 (neutral)

    Molecular weight
    458.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    101°C

    Flash point

    • 258.65 ˚C est.

  • Synonyms

    • DTXSID301262713
    • 74715-49-4
    • 18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol
    • Urs-20-ene-3,16,28-triol, (3I(2),16I(2),18I+/-,19I+/-)-
    • 74715-49-4

  • Applications

    18alpha,19alpha-Urs-20-ene-3beta,16beta,28-triol (CAS 74715-49-4) is a triterpenoid with an ursane-type framework, commonly used as a chemical building block and intermediate in the synthesis of more complex natural-product-like compounds. In practical formulations, it may serve as a fragrance component or fixative in perfumery, as an emollient or skin-conditioning ingredient in cosmetics and personal care products, and as an intermediate in industrial manufacturing for pharmaceutical or agrochemical lead synthesis. It might also be explored as a specialty additive in coatings or inks where a rigid triterpene scaffold can contribute to formulation properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.44
    methanol 3.93
    isopropanol 2.39
    water 0.01
    ethyl acetate 2.36
    n-propanol 4.52
    acetone 3.33
    n-butanol 3.99
    acetonitrile 0.91
    DMF 17.12
    toluene 2.89
    isobutanol 2.84
    1,4-dioxane 11.77
    methyl acetate 2.02
    THF 20.36
    2-butanone 3.91
    n-pentanol 2.89
    sec-butanol 1.37
    n-hexane 0.13
    ethylene glycol 0.56
    NMP 14.18
    cyclohexane 0.13
    DMSO 6.48
    n-butyl acetate 2.91
    n-octanol 2.31
    chloroform 7.3
    n-propyl acetate 2.05
    acetic acid 2.62
    dichloromethane 3.92
    cyclohexanone 6.46
    propylene glycol 1.01
    isopropyl acetate 2.57
    DMAc 13.35
    2-ethoxyethanol 7.02
    isopentanol 2.86
    n-heptane 0.17
    ethyl formate 1.41
    1,2-dichloroethane 2.55
    n-hexanol 3.41
    2-methoxyethanol 9.69
    isobutyl acetate 2.21
    tetrachloromethane 1.31
    n-pentyl acetate 5.33
    transcutol 17.44
    n-heptanol 4.45
    ethylbenzene 1.49
    MIBK 3.3
    2-propoxyethanol 16.37
    tert-butanol 1.89
    MTBE 1.94
    2-butoxyethanol 14.55
    propionic acid 2.11
    o-xylene 1.65
    formic acid 1.39
    diethyl ether 2.56
    m-xylene 2.34
    p-xylene 1.57
    chlorobenzene 2.81
    dimethyl carbonate 3.05
    n-octane 0.07
    formamide 1.93
    cyclopentanone 9.85
    2-pentanone 3.71
    anisole 4.58
    cyclopentyl methyl ether 5.34
    gamma-butyrolactone 7.77
    1-methoxy-2-propanol 11.09
    pyridine 9.08
    3-pentanone 2.91
    furfural 7.82
    n-dodecane 0.03
    diethylene glycol 7.85
    diisopropyl ether 0.81
    tert-amyl alcohol 1.35
    acetylacetone 4.9
    n-hexadecane 0.04
    acetophenone 4.4
    methyl propionate 3.5
    isopentyl acetate 3.76
    trichloroethylene 6.76
    n-nonanol 2.78
    cyclohexanol 1.8
    benzyl alcohol 4.43
    2-ethylhexanol 1.93
    isooctanol 3.57
    dipropyl ether 2.74
    1,2-dichlorobenzene 2.73
    ethyl lactate 2.17
    propylene carbonate 3.38
    n-methylformamide 4.3
    2-pentanol 1.48
    n-pentane 0.13
    1-propoxy-2-propanol 11.06
    1-methoxy-2-propyl acetate 8.31
    2-(2-methoxypropoxy) propanol 8.18
    mesitylene 1.29
    ε-caprolactone 5.87
    p-cymene 1.37
    epichlorohydrin 9.56
    1,1,1-trichloroethane 2.22
    2-aminoethanol 2.19
    morpholine-4-carbaldehyde 19.58
    sulfolane 10.8
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 4.85
    n-hexyl acetate 5.11
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 12.18
    sec-butyl acetate 1.63
    tert-butyl acetate 3.63
    decalin 0.15
    glycerin 2.47
    diglyme 20.81
    acrylic acid 2.14
    isopropyl myristate 1.35
    n-butyric acid 3.62
    acetyl acetate 2.26
    di(2-ethylhexyl) phthalate 3.17
    ethyl propionate 2.05
    nitromethane 4.01
    1,2-diethoxyethane 4.25
    benzonitrile 2.79
    trioctyl phosphate 2.04
    1-bromopropane 1.25
    gamma-valerolactone 18.2
    n-decanol 1.29
    triethyl phosphate 1.92
    4-methyl-2-pentanol 1.49
    propionitrile 1.63
    vinylene carbonate 4.19
    1,1,2-trichlorotrifluoroethane 8.75
    DMS 3.93
    cumene 1.11
    2-octanol 1.78
    2-hexanone 2.75
    octyl acetate 2.05
    limonene 1.35
    1,2-dimethoxyethane 9.99
    ethyl orthosilicate 2.22
    tributyl phosphate 1.55
    diacetone alcohol 5.35
    N,N-dimethylaniline 3.89
    acrylonitrile 2.23
    aniline 3.91
    1,3-propanediol 4.11
    bromobenzene 2.62
    dibromomethane 2.43
    1,1,2,2-tetrachloroethane 5.35
    2-methyl-cyclohexyl acetate 3.36
    tetrabutyl urea 2.6
    diisobutyl methanol 1.37
    2-phenylethanol 6.12
    styrene 1.51
    dioctyl adipate 2.94
    dimethyl sulfate 5.08
    ethyl butyrate 2.43
    methyl lactate 3.4
    butyl lactate 5.81
    diethyl carbonate 1.53
    propanediol butyl ether 8.92
    triethyl orthoformate 3.07
    p-tert-butyltoluene 1.45
    methyl 4-tert-butylbenzoate 9.01
    morpholine 13.97
    tert-butylamine 0.94
    n-dodecanol 0.6
    dimethoxymethane 15.33
    ethylene carbonate 3.29
    cyrene 8.83
    2-ethoxyethyl acetate 8.83
    2-ethylhexyl acetate 2.9
    1,2,4-trichlorobenzene 4.05
    4-methylpyridine 6.02
    dibutyl ether 1.14
    2,6-dimethyl-4-heptanol 1.37
    DEF 4.66
    dimethyl isosorbide 13.67
    tetrachloroethylene 4.53
    eugenol 10.15
    triacetin 5.67
    span 80 7.17
    1,4-butanediol 1.71
    1,1-dichloroethane 1.87
    2-methyl-1-pentanol 2.16
    methyl formate 2.72
    2-methyl-1-butanol 2.38
    n-decane 0.1
    butyronitrile 1.68
    3,7-dimethyl-1-octanol 1.86
    1-chlorooctane 0.59
    1-chlorotetradecane 0.13
    n-nonane 0.08
    undecane 0.05
    tert-butylcyclohexane 0.17
    cyclooctane 0.09
    cyclopentanol 2.38
    tetrahydropyran 5.38
    tert-amyl methyl ether 1.47
    2,5,8-trioxanonane 11.9
    1-hexene 0.53
    2-isopropoxyethanol 4.93
    2,2,2-trifluoroethanol 1.38
    methyl butyrate 2.44

    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