Ergost-5-en-3-ol, 13-docosenoate, [3beta(E),24R]-

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  • Identifiers

    CAS number
    110671-73-3

    Molecular formula
    C50H88O2

    SMILES
    CCCCCCCCC=CCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCC(C)C(C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Waxy 65.04%
    Woody 51.05%
    Fatty 46.85%
    Oily 44.06%
    Balsamic 33.77%
    Sandalwood 32.13%
    Amber 25.37%
    Green 23.97%
    Sweet 23.41%
    Odorless 22.7%

     

    Flavor
    Waxy 31.39%
    Mild 24.99%
    Bland 24.77%
    Faint 24.41%
    Slightly waxy 21.3%
    Delicate 20.84%
    Diterpene 20.26%
    Low 20.14%
    Sandalwood 19.73%
    Fatty 19.44%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    19.0

    pKa est.
    -1750.17 (strong acid)

    Molecular weight
    721.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    647°C

    Flash point

    • -9550.54 ˚C est.

  • Synonyms

    • 110671-73-3
    • Ergost-5-en-3-ol, 13-docosenoate, [3beta(E),24R]-
    • 110671-73-3

  • Applications

    Ergost-5-en-3-ol, 13-docosenoate, [3beta(E),24R]- (CAS 110671-73-3) is a sterol ester that can be used in several real-world applications across cosmetics, perfumery, coatings, and polymers. In cosmetics and personal care, it acts as an emollient and conditioning agent in creams, lotions, and hair-care formulations. In perfumery, it can serve as a fragrance carrier or fixative to help extend aroma longevity. In coatings and inks, it functions as a wax-like additive to improve slip, gloss, and flexibility of coatings and printed materials. In polymers and plastics, it may be used as a processing aid or plasticizer in specialty resins and wax blends to adjust rheology and softness. In industrial manufacturing, it can be employed as a processing aid or lubricant in certain formulations. In household products, it may be included in waxes, polishes, and cleaners as a conditioning or gloss-enhancing component.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.87
    methanol 5.37
    isopropanol 12.48
    water 0.04
    ethyl acetate 76.2
    n-propanol 24.97
    acetone 32.79
    n-butanol 33.3
    acetonitrile 8.02
    DMF 37.53
    toluene 112.48
    isobutanol 23.06
    1,4-dioxane 86.03
    methyl acetate 38.99
    THF 174.06
    2-butanone 71.75
    n-pentanol 30.11
    sec-butanol 22.76
    n-hexane 14.15
    ethylene glycol 0.66
    NMP 145.81
    cyclohexane 25.73
    DMSO 20.63
    n-butyl acetate 94.17
    n-octanol 23.48
    chloroform 235.8
    n-propyl acetate 65.45
    acetic acid 21.24
    dichloromethane 182.18
    cyclohexanone 180.08
    propylene glycol 2.04
    isopropyl acetate 80.83
    DMAc 127.45
    2-ethoxyethanol 35.94
    isopentanol 33.51
    n-heptane 12.72
    ethyl formate 22.07
    1,2-dichloroethane 99.35
    n-hexanol 37.42
    2-methoxyethanol 26.53
    isobutyl acetate 60.35
    tetrachloromethane 50.39
    n-pentyl acetate 111.14
    transcutol 169.43
    n-heptanol 33.21
    ethylbenzene 59.6
    MIBK 68.26
    2-propoxyethanol 74.4
    tert-butanol 13.19
    MTBE 46.54
    2-butoxyethanol 74.44
    propionic acid 23.6
    o-xylene 70.42
    formic acid 4.25
    diethyl ether 68.67
    m-xylene 70.92
    p-xylene 59.88
    chlorobenzene 123.52
    dimethyl carbonate 29.3
    n-octane 4.17
    formamide 6.13
    cyclopentanone 151.93
    2-pentanone 81.37
    anisole 82.45
    cyclopentyl methyl ether 142.38
    gamma-butyrolactone 135.69
    1-methoxy-2-propanol 38.01
    pyridine 112.96
    3-pentanone 89.05
    furfural 87.37
    n-dodecane 2.26
    diethylene glycol 15.46
    diisopropyl ether 31.39
    tert-amyl alcohol 23.1
    acetylacetone 81.38
    n-hexadecane 2.8
    acetophenone 83.18
    methyl propionate 67.62
    isopentyl acetate 106.35
    trichloroethylene 211.33
    n-nonanol 29.19
    cyclohexanol 51.93
    benzyl alcohol 44.48
    2-ethylhexanol 40.17
    isooctanol 32.51
    dipropyl ether 70.77
    1,2-dichlorobenzene 121.71
    ethyl lactate 29.35
    propylene carbonate 83.29
    n-methylformamide 14.74
    2-pentanol 27.94
    n-pentane 12.89
    1-propoxy-2-propanol 69.73
    1-methoxy-2-propyl acetate 122.92
    2-(2-methoxypropoxy) propanol 71.97
    mesitylene 43.32
    ε-caprolactone 198.53
    p-cymene 39.9
    epichlorohydrin 149.56
    1,1,1-trichloroethane 120.78
    2-aminoethanol 3.82
    morpholine-4-carbaldehyde 109.41
    sulfolane 139.65
    2,2,4-trimethylpentane 8.88
    2-methyltetrahydrofuran 158.79
    n-hexyl acetate 103.34
    isooctane 5.53
    2-(2-butoxyethoxy)ethanol 79.43
    sec-butyl acetate 71.03
    tert-butyl acetate 86.35
    decalin 15.43
    glycerin 4.09
    diglyme 158.94
    acrylic acid 16.05
    isopropyl myristate 40.07
    n-butyric acid 64.18
    acetyl acetate 57.7
    di(2-ethylhexyl) phthalate 42.59
    ethyl propionate 74.14
    nitromethane 29.95
    1,2-diethoxyethane 92.31
    benzonitrile 38.69
    trioctyl phosphate 27.79
    1-bromopropane 97.14
    gamma-valerolactone 204.85
    n-decanol 18.16
    triethyl phosphate 54.32
    4-methyl-2-pentanol 23.97
    propionitrile 19.79
    vinylene carbonate 74.19
    1,1,2-trichlorotrifluoroethane 74.28
    DMS 65.53
    cumene 38.78
    2-octanol 22.31
    2-hexanone 72.13
    octyl acetate 47.03
    limonene 54.34
    1,2-dimethoxyethane 65.53
    ethyl orthosilicate 61.44
    tributyl phosphate 33.56
    diacetone alcohol 57.26
    N,N-dimethylaniline 62.09
    acrylonitrile 15.73
    aniline 68.87
    1,3-propanediol 12.12
    bromobenzene 157.36
    dibromomethane 137.5
    1,1,2,2-tetrachloroethane 182.26
    2-methyl-cyclohexyl acetate 88.59
    tetrabutyl urea 47.45
    diisobutyl methanol 26.56
    2-phenylethanol 58.28
    styrene 61.59
    dioctyl adipate 61.31
    dimethyl sulfate 50.6
    ethyl butyrate 88.52
    methyl lactate 23.57
    butyl lactate 67.79
    diethyl carbonate 51.93
    propanediol butyl ether 33.02
    triethyl orthoformate 86.91
    p-tert-butyltoluene 36.34
    methyl 4-tert-butylbenzoate 103.13
    morpholine 104.11
    tert-butylamine 12.45
    n-dodecanol 11.85
    dimethoxymethane 53.93
    ethylene carbonate 73.57
    cyrene 69.12
    2-ethoxyethyl acetate 136.49
    2-ethylhexyl acetate 102.96
    1,2,4-trichlorobenzene 146.29
    4-methylpyridine 122.55
    dibutyl ether 45.77
    2,6-dimethyl-4-heptanol 26.56
    DEF 100.37
    dimethyl isosorbide 139.47
    tetrachloroethylene 121.35
    eugenol 75.72
    triacetin 106.28
    span 80 62.84
    1,4-butanediol 4.84
    1,1-dichloroethane 94.98
    2-methyl-1-pentanol 36.65
    methyl formate 10.85
    2-methyl-1-butanol 37.42
    n-decane 5.84
    butyronitrile 27.32
    3,7-dimethyl-1-octanol 28.37
    1-chlorooctane 26.83
    1-chlorotetradecane 8.13
    n-nonane 4.83
    undecane 3.37
    tert-butylcyclohexane 10.99
    cyclooctane 12.16
    cyclopentanol 37.9
    tetrahydropyran 151.63
    tert-amyl methyl ether 57.3
    2,5,8-trioxanonane 92.18
    1-hexene 38.39
    2-isopropoxyethanol 37.07
    2,2,2-trifluoroethanol 13.26
    methyl butyrate 81.52

    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