Sodium ursolate

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  • Identifiers

    CAS number
    220435-39-2

    Molecular formula
    C30H47NaO3

    SMILES
    C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)[O-].[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Woody 86.26%
    Amber 54.97%
    Dry 49.05%
    Cedar 48.85%
    Balsamic 47.0%
    Sandalwood 46.85%
    Musk 38.06%
    Vetiver 36.4%
    Camphoreous 35.5%
    Spicy 34.55%

     

    Flavor
    Woody 66.01%
    Camphor 47.74%
    Pine 44.33%
    Balsam 43.38%
    Sweet 41.38%
    Herbal 39.92%
    Earthy 33.35%
    Spicy 31.85%
    Dry 31.1%
    Fir needle 28.26%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.5 (weak acid)

    Molecular weight
    478.7 g/mol

    Flash point

    • 247.34 ˚C est.

  • Synonyms

    • Sodium ursolate
    • 220435-39-2
    • Sodium ursolate [INCI]
    • NV5D25VL1O
    • UNII-NV5D25VL1O
    • Duboisia ursolic acid, sodium salt, premier
    • DTXSID90176521
    • Urs-12-3en-28-oic acid, 3-hydroxy-, monosodium salt, (3-beta)-
    • Urs-12-en-28-oic acid, 3-hydroxy-, sodium salt (1:1), (3beta)-
    • URS-12-3EN-28-OIC ACID, 3-HYDROXY-, MONOSODIUM SALT, (3-.BETA.)-
    • URS-12-EN-28-OIC ACID, 3-HYDROXY-, SODIUM SALT (1:1), (3.BETA.)-
    • RefChem:184151
    • DTXCID1099012
    • sodium;(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate
    • Sodium 3beta-hydroxyurs-12-en-28-oate
    • Q27285070
    • 220435-39-2

  • Applications

    Sodium ursolate (CAS 220435-39-2) is the sodium salt of ursolic acid and is commonly used as an anionic surfactant and emulsifier in cosmetics and personal care to help stabilize formulations; it may be employed as an additive in cleaning and household products to improve wetting and cleaning performance; in industrial manufacturing it can act as a precursor or intermediate for ursane-type derivatives; in coatings and inks it can function as an emulsification stabilizer or surface-active additive for polymer systems; it may also be considered as a component for plastics, adhesives, or formulation-dependent applications subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.64
    methanol 8.98
    isopropanol 13.11
    water 0.01
    ethyl acetate 6.35
    n-propanol 22.28
    acetone 8.53
    n-butanol 18.71
    acetonitrile 2.62
    DMF 61.39
    toluene 13.74
    isobutanol 14.09
    1,4-dioxane 37.04
    methyl acetate 5.95
    THF 59.28
    2-butanone 13.05
    n-pentanol 12.4
    sec-butanol 9.01
    n-hexane 0.49
    ethylene glycol 1.24
    NMP 35.83
    cyclohexane 0.59
    DMSO 10.86
    n-butyl acetate 7.68
    n-octanol 4.81
    chloroform 22.57
    n-propyl acetate 5.18
    acetic acid 5.17
    dichloromethane 11.68
    cyclohexanone 20.01
    propylene glycol 3.38
    isopropyl acetate 6.99
    DMAc 36.43
    2-ethoxyethanol 18.98
    isopentanol 11.1
    n-heptane 0.4
    ethyl formate 3.22
    1,2-dichloroethane 8.03
    n-hexanol 13.9
    2-methoxyethanol 27.2
    isobutyl acetate 5.53
    tetrachloromethane 3.37
    n-pentyl acetate 10.94
    transcutol 35.27
    n-heptanol 9.31
    ethylbenzene 5.83
    MIBK 8.02
    2-propoxyethanol 49.76
    tert-butanol 8.04
    MTBE 7.41
    2-butoxyethanol 27.51
    propionic acid 5.71
    o-xylene 6.86
    formic acid 2.14
    diethyl ether 12.09
    m-xylene 8.43
    p-xylene 5.64
    chlorobenzene 9.43
    dimethyl carbonate 6.61
    n-octane 0.15
    formamide 3.41
    cyclopentanone 27.33
    2-pentanone 11.4
    anisole 12.84
    cyclopentyl methyl ether 18.0
    gamma-butyrolactone 19.45
    1-methoxy-2-propanol 33.39
    pyridine 28.58
    3-pentanone 9.63
    furfural 17.26
    n-dodecane 0.07
    diethylene glycol 18.22
    diisopropyl ether 2.82
    tert-amyl alcohol 5.77
    acetylacetone 10.6
    n-hexadecane 0.09
    acetophenone 10.31
    methyl propionate 9.84
    isopentyl acetate 8.87
    trichloroethylene 18.92
    n-nonanol 5.7
    cyclohexanol 8.88
    benzyl alcohol 12.99
    2-ethylhexanol 5.49
    isooctanol 6.75
    dipropyl ether 7.33
    1,2-dichlorobenzene 7.94
    ethyl lactate 5.03
    propylene carbonate 7.61
    n-methylformamide 11.93
    2-pentanol 8.04
    n-pentane 0.6
    1-propoxy-2-propanol 29.74
    1-methoxy-2-propyl acetate 18.79
    2-(2-methoxypropoxy) propanol 15.89
    mesitylene 4.13
    ε-caprolactone 16.15
    p-cymene 3.19
    epichlorohydrin 27.03
    1,1,1-trichloroethane 7.25
    2-aminoethanol 6.28
    morpholine-4-carbaldehyde 53.94
    sulfolane 22.22
    2,2,4-trimethylpentane 0.35
    2-methyltetrahydrofuran 18.65
    n-hexyl acetate 10.99
    isooctane 0.33
    2-(2-butoxyethoxy)ethanol 23.39
    sec-butyl acetate 4.73
    tert-butyl acetate 8.2
    decalin 0.52
    glycerin 5.63
    diglyme 36.09
    acrylic acid 4.89
    isopropyl myristate 3.3
    n-butyric acid 10.06
    acetyl acetate 4.61
    di(2-ethylhexyl) phthalate 6.38
    ethyl propionate 5.3
    nitromethane 7.72
    1,2-diethoxyethane 11.54
    benzonitrile 7.69
    trioctyl phosphate 4.02
    1-bromopropane 5.87
    gamma-valerolactone 45.77
    n-decanol 2.97
    triethyl phosphate 4.02
    4-methyl-2-pentanol 5.0
    propionitrile 6.17
    vinylene carbonate 8.84
    1,1,2-trichlorotrifluoroethane 18.01
    DMS 9.31
    cumene 3.41
    2-octanol 4.17
    2-hexanone 8.31
    octyl acetate 4.8
    limonene 3.43
    1,2-dimethoxyethane 25.13
    ethyl orthosilicate 4.72
    tributyl phosphate 3.32
    diacetone alcohol 11.99
    N,N-dimethylaniline 10.27
    acrylonitrile 6.85
    aniline 14.35
    1,3-propanediol 12.26
    bromobenzene 9.3
    dibromomethane 8.42
    1,1,2,2-tetrachloroethane 16.95
    2-methyl-cyclohexyl acetate 7.53
    tetrabutyl urea 5.6
    diisobutyl methanol 3.16
    2-phenylethanol 17.09
    styrene 6.12
    dioctyl adipate 6.19
    dimethyl sulfate 9.51
    ethyl butyrate 5.69
    methyl lactate 8.34
    butyl lactate 11.98
    diethyl carbonate 3.52
    propanediol butyl ether 17.0
    triethyl orthoformate 6.84
    p-tert-butyltoluene 3.47
    methyl 4-tert-butylbenzoate 15.94
    morpholine 55.57
    tert-butylamine 4.34
    n-dodecanol 1.49
    dimethoxymethane 40.04
    ethylene carbonate 7.25
    cyrene 17.58
    2-ethoxyethyl acetate 17.58
    2-ethylhexyl acetate 6.96
    1,2,4-trichlorobenzene 12.21
    4-methylpyridine 22.62
    dibutyl ether 2.94
    2,6-dimethyl-4-heptanol 3.16
    DEF 14.44
    dimethyl isosorbide 25.44
    tetrachloroethylene 11.46
    eugenol 17.81
    triacetin 10.94
    span 80 14.67
    1,4-butanediol 4.61
    1,1-dichloroethane 7.57
    2-methyl-1-pentanol 7.53
    methyl formate 6.33
    2-methyl-1-butanol 10.71
    n-decane 0.2
    butyronitrile 6.4
    3,7-dimethyl-1-octanol 3.97
    1-chlorooctane 1.44
    1-chlorotetradecane 0.33
    n-nonane 0.17
    undecane 0.11
    tert-butylcyclohexane 0.48
    cyclooctane 0.31
    cyclopentanol 11.26
    tetrahydropyran 26.75
    tert-amyl methyl ether 5.54
    2,5,8-trioxanonane 21.58
    1-hexene 2.36
    2-isopropoxyethanol 13.49
    2,2,2-trifluoroethanol 2.3
    methyl butyrate 6.15

    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