Urs-12-en-3-ol, tetratriacontanoate, (3beta)-

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  • Identifiers

    CAS number
    124693-68-1

    Molecular formula
    C64H116O2

    SMILES
    CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC=C4[C@H]5[C@H]([C@@H](CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)C)C)C

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  • Odor profile

    Fragrance
    Waxy 70.64%
    Fatty 47.81%
    Woody 46.39%
    Oily 36.21%
    Sandalwood 26.73%
    Amber 25.92%
    Odorless 25.8%
    Balsamic 25.72%
    Animal 21.17%
    Dry 21.15%

     

    Flavor
    Waxy 42.97%
    Mild 30.79%
    Bland 25.86%
    Balsam 22.36%
    Slightly waxy 22.06%
    Faint 21.3%
    Delicate 21.13%
    Sandalwood 20.94%
    Low 20.48%
    Beer 20.47%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    26.7

    pKa est.
    -65962070.0 (strong acid)

    Molecular weight
    917.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    762°C

    Flash point

    • -417358353.15 ˚C est.

  • Synonyms

    • alpha-Amyrin tetratriacontanoate
    • 124693-68-1
    • Urs-12-en-3-ol, tetratriacontanoate, (3beta)-
    • SCHEMBL29934584
    • DTXSID30924907
    • Urs-12-en-3-yl tetratriacontanoate
    • (5xi)-18alpha-Urs-12-en-3beta-yl tetratriacontanoate
    • 124693-68-1

  • Applications

    Urs-12-en-3-ol, tetratriacontanoate, (3beta)-, CAS number: 124693-68-1, is a long-chain wax ester typically used as an emollient and conditioning agent in cosmetics and personal care; it also serves as a waxy component and thickener in coatings, polishes, and candle formulations; in industrial manufacturing it functions as a wax lubricant and processing aid in polymer processing and related formulations; and it is used as a component in specialty wax blends for plastics and lubricants.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.4
    methanol 4.45
    isopropanol 11.03
    water 0.05
    ethyl acetate 65.85
    n-propanol 22.62
    acetone 38.06
    n-butanol 24.42
    acetonitrile 11.99
    DMF 56.01
    toluene 91.49
    isobutanol 21.18
    1,4-dioxane 72.25
    methyl acetate 41.55
    THF 175.51
    2-butanone 70.58
    n-pentanol 26.44
    sec-butanol 22.77
    n-hexane 13.72
    ethylene glycol 0.9
    NMP 202.93
    cyclohexane 19.92
    DMSO 28.39
    n-butyl acetate 75.15
    n-octanol 23.15
    chloroform 185.02
    n-propyl acetate 59.66
    acetic acid 21.24
    dichloromethane 140.49
    cyclohexanone 159.31
    propylene glycol 2.88
    isopropyl acetate 60.92
    DMAc 138.65
    2-ethoxyethanol 31.65
    isopentanol 25.22
    n-heptane 11.02
    ethyl formate 22.56
    1,2-dichloroethane 83.87
    n-hexanol 30.49
    2-methoxyethanol 20.98
    isobutyl acetate 52.94
    tetrachloromethane 50.66
    n-pentyl acetate 101.83
    transcutol 86.28
    n-heptanol 30.23
    ethylbenzene 52.4
    MIBK 52.91
    2-propoxyethanol 58.16
    tert-butanol 13.96
    MTBE 42.44
    2-butoxyethanol 63.55
    propionic acid 27.37
    o-xylene 61.69
    formic acid 4.22
    diethyl ether 54.17
    m-xylene 61.32
    p-xylene 61.07
    chlorobenzene 105.94
    dimethyl carbonate 34.24
    n-octane 4.4
    formamide 6.99
    cyclopentanone 169.1
    2-pentanone 73.73
    anisole 69.7
    cyclopentyl methyl ether 131.11
    gamma-butyrolactone 157.98
    1-methoxy-2-propanol 32.79
    pyridine 115.55
    3-pentanone 83.22
    furfural 97.51
    n-dodecane 2.05
    diethylene glycol 13.49
    diisopropyl ether 25.18
    tert-amyl alcohol 24.53
    acetylacetone 71.66
    n-hexadecane 2.51
    acetophenone 78.06
    methyl propionate 68.95
    isopentyl acetate 77.99
    trichloroethylene 177.56
    n-nonanol 27.53
    cyclohexanol 44.59
    benzyl alcohol 42.46
    2-ethylhexanol 32.4
    isooctanol 29.58
    dipropyl ether 59.81
    1,2-dichlorobenzene 104.12
    ethyl lactate 28.71
    propylene carbonate 86.44
    n-methylformamide 20.35
    2-pentanol 23.78
    n-pentane 11.28
    1-propoxy-2-propanol 56.93
    1-methoxy-2-propyl acetate 93.1
    2-(2-methoxypropoxy) propanol 51.56
    mesitylene 35.39
    ε-caprolactone 168.79
    p-cymene 34.66
    epichlorohydrin 142.93
    1,1,1-trichloroethane 115.55
    2-aminoethanol 4.49
    morpholine-4-carbaldehyde 114.71
    sulfolane 170.19
    2,2,4-trimethylpentane 8.03
    2-methyltetrahydrofuran 134.73
    n-hexyl acetate 89.78
    isooctane 4.88
    2-(2-butoxyethoxy)ethanol 57.75
    sec-butyl acetate 55.81
    tert-butyl acetate 68.36
    decalin 13.65
    glycerin 4.41
    diglyme 108.97
    acrylic acid 21.3
    isopropyl myristate 32.64
    n-butyric acid 52.2
    acetyl acetate 49.96
    di(2-ethylhexyl) phthalate 38.65
    ethyl propionate 65.24
    nitromethane 36.07
    1,2-diethoxyethane 62.68
    benzonitrile 43.81
    trioctyl phosphate 27.37
    1-bromopropane 76.87
    gamma-valerolactone 194.35
    n-decanol 17.25
    triethyl phosphate 47.19
    4-methyl-2-pentanol 18.29
    propionitrile 25.29
    vinylene carbonate 81.82
    1,1,2-trichlorotrifluoroethane 73.62
    DMS 68.58
    cumene 33.19
    2-octanol 22.53
    2-hexanone 68.39
    octyl acetate 41.12
    limonene 44.5
    1,2-dimethoxyethane 59.85
    ethyl orthosilicate 51.41
    tributyl phosphate 30.65
    diacetone alcohol 46.46
    N,N-dimethylaniline 57.97
    acrylonitrile 22.64
    aniline 60.61
    1,3-propanediol 9.14
    bromobenzene 131.9
    dibromomethane 105.47
    1,1,2,2-tetrachloroethane 150.21
    2-methyl-cyclohexyl acetate 75.73
    tetrabutyl urea 43.67
    diisobutyl methanol 20.74
    2-phenylethanol 49.2
    styrene 54.84
    dioctyl adipate 50.84
    dimethyl sulfate 63.98
    ethyl butyrate 68.66
    methyl lactate 25.74
    butyl lactate 64.49
    diethyl carbonate 43.31
    propanediol butyl ether 32.76
    triethyl orthoformate 69.93
    p-tert-butyltoluene 32.7
    methyl 4-tert-butylbenzoate 94.89
    morpholine 87.62
    tert-butylamine 12.25
    n-dodecanol 11.18
    dimethoxymethane 56.64
    ethylene carbonate 72.69
    cyrene 71.0
    2-ethoxyethyl acetate 114.15
    2-ethylhexyl acetate 78.49
    1,2,4-trichlorobenzene 131.74
    4-methylpyridine 119.62
    dibutyl ether 35.83
    2,6-dimethyl-4-heptanol 20.74
    DEF 95.1
    dimethyl isosorbide 111.07
    tetrachloroethylene 100.44
    eugenol 68.49
    triacetin 88.14
    span 80 52.32
    1,4-butanediol 5.55
    1,1-dichloroethane 78.84
    2-methyl-1-pentanol 31.59
    methyl formate 15.56
    2-methyl-1-butanol 31.25
    n-decane 5.37
    butyronitrile 27.51
    3,7-dimethyl-1-octanol 23.09
    1-chlorooctane 24.66
    1-chlorotetradecane 7.32
    n-nonane 4.6
    undecane 3.05
    tert-butylcyclohexane 10.88
    cyclooctane 9.9
    cyclopentanol 42.79
    tetrahydropyran 120.46
    tert-amyl methyl ether 52.12
    2,5,8-trioxanonane 64.32
    1-hexene 35.03
    2-isopropoxyethanol 33.76
    2,2,2-trifluoroethanol 15.54
    methyl butyrate 71.98

    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