Cholesteryl isostearyl carbonate

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  • Identifiers

    CAS number
    127512-93-0

    Molecular formula
    C46H82O3

    SMILES
    C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)OCCCCCCCCCCCCCCCC(C)C)C)C

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  • Odor profile

    Fragrance
    Waxy 61.88%
    Woody 61.22%
    Balsamic 41.17%
    Oily 39.55%
    Sandalwood 38.59%
    Green 35.36%
    Floral 32.72%
    Fatty 32.04%
    Amber 31.64%
    Fresh 26.37%

     

    Flavor
    Waxy 35.88%
    Mild 30.73%
    Bland 25.95%
    Oily 23.89%
    Balsam 22.61%
    Faint 22.53%
    Slightly waxy 21.65%
    Delicate 21.48%
    Woody 21.11%
    Sandalwood 20.84%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    18.1

    pKa est.
    -225.5 (strong acid)

    Molecular weight
    683.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    671°C

    Flash point

    • -1034.53 ˚C est.

  • Synonyms

    • Cholesteryl isostearyl carbonate
    • ZD1OZM010N
    • UNII-ZD1OZM010N
    • 127512-93-0
    • RefChem:200153
    • CHOLESTERYL ISOSTEARYL CARBONATE [INCI]
    • [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 16-methylheptadecyl carbonate
    • 57982-43-1
    • SCHEMBL28350953
    • (3beta)-cholest-5-en-3-ol 16-methylheptadecyl carbonate
    • DB-246989
    • Q27295324
    • 127512-93-0

  • Applications

    Cholesteryl isostearyl carbonate (CAS 127512-93-0) is used in cosmetics and personal care as an emollient and conditioning agent, contributing slip and a waxy texture; in perfumery/fragrance it may function as a fragrance fixative or scent carrier; in coatings and inks it may be used as a wax-like thickener or texture modifier to influence gloss and rheology; in polymers and plastics it can act as a plasticizer or lubricating additive to facilitate processing; and in industrial manufacturing it is employed as an intermediate or functional additive in specialty formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 18.91
    methanol 8.02
    isopropanol 17.0
    water 0.06
    ethyl acetate 90.17
    n-propanol 34.66
    acetone 46.38
    n-butanol 40.76
    acetonitrile 11.54
    DMF 59.93
    toluene 110.42
    isobutanol 30.2
    1,4-dioxane 87.0
    methyl acetate 47.34
    THF 227.22
    2-butanone 86.55
    n-pentanol 37.68
    sec-butanol 30.73
    n-hexane 13.23
    ethylene glycol 0.95
    NMP 207.82
    cyclohexane 22.07
    DMSO 31.34
    n-butyl acetate 97.83
    n-octanol 27.2
    chloroform 285.6
    n-propyl acetate 75.7
    acetic acid 28.35
    dichloromethane 225.9
    cyclohexanone 211.81
    propylene glycol 3.18
    isopropyl acetate 90.93
    DMAc 159.55
    2-ethoxyethanol 44.45
    isopentanol 39.6
    n-heptane 10.56
    ethyl formate 29.6
    1,2-dichloroethane 124.0
    n-hexanol 41.09
    2-methoxyethanol 34.94
    isobutyl acetate 67.14
    tetrachloromethane 60.36
    n-pentyl acetate 126.88
    transcutol 160.62
    n-heptanol 37.94
    ethylbenzene 60.14
    MIBK 78.57
    2-propoxyethanol 83.57
    tert-butanol 16.8
    MTBE 53.77
    2-butoxyethanol 85.15
    propionic acid 30.12
    o-xylene 70.77
    formic acid 6.25
    diethyl ether 72.89
    m-xylene 74.53
    p-xylene 63.53
    chlorobenzene 139.16
    dimethyl carbonate 36.98
    n-octane 3.91
    formamide 9.33
    cyclopentanone 200.99
    2-pentanone 101.94
    anisole 86.67
    cyclopentyl methyl ether 161.5
    gamma-butyrolactone 180.52
    1-methoxy-2-propanol 49.62
    pyridine 137.98
    3-pentanone 97.09
    furfural 113.74
    n-dodecane 2.12
    diethylene glycol 18.78
    diisopropyl ether 32.06
    tert-amyl alcohol 28.96
    acetylacetone 98.01
    n-hexadecane 2.62
    acetophenone 93.74
    methyl propionate 81.3
    isopentyl acetate 104.08
    trichloroethylene 262.88
    n-nonanol 32.28
    cyclohexanol 60.74
    benzyl alcohol 52.66
    2-ethylhexanol 39.5
    isooctanol 36.15
    dipropyl ether 67.33
    1,2-dichlorobenzene 126.87
    ethyl lactate 35.47
    propylene carbonate 102.98
    n-methylformamide 23.55
    2-pentanol 34.46
    n-pentane 12.14
    1-propoxy-2-propanol 78.04
    1-methoxy-2-propyl acetate 125.16
    2-(2-methoxypropoxy) propanol 71.72
    mesitylene 42.92
    ε-caprolactone 222.46
    p-cymene 37.99
    epichlorohydrin 199.53
    1,1,1-trichloroethane 144.33
    2-aminoethanol 5.72
    morpholine-4-carbaldehyde 138.42
    sulfolane 193.99
    2,2,4-trimethylpentane 8.24
    2-methyltetrahydrofuran 179.39
    n-hexyl acetate 112.56
    isooctane 5.17
    2-(2-butoxyethoxy)ethanol 83.02
    sec-butyl acetate 76.6
    tert-butyl acetate 95.73
    decalin 13.49
    glycerin 5.63
    diglyme 157.78
    acrylic acid 21.34
    isopropyl myristate 39.25
    n-butyric acid 79.33
    acetyl acetate 65.58
    di(2-ethylhexyl) phthalate 44.73
    ethyl propionate 79.8
    nitromethane 42.85
    1,2-diethoxyethane 86.81
    benzonitrile 46.76
    trioctyl phosphate 30.96
    1-bromopropane 112.27
    gamma-valerolactone 259.4
    n-decanol 20.01
    triethyl phosphate 52.89
    4-methyl-2-pentanol 26.9
    propionitrile 25.98
    vinylene carbonate 93.76
    1,1,2-trichlorotrifluoroethane 99.28
    DMS 70.94
    cumene 38.45
    2-octanol 26.26
    2-hexanone 83.83
    octyl acetate 49.99
    limonene 48.86
    1,2-dimethoxyethane 76.74
    ethyl orthosilicate 57.51
    tributyl phosphate 35.12
    diacetone alcohol 68.51
    N,N-dimethylaniline 65.36
    acrylonitrile 22.28
    aniline 78.72
    1,3-propanediol 16.01
    bromobenzene 176.09
    dibromomethane 165.26
    1,1,2,2-tetrachloroethane 224.05
    2-methyl-cyclohexyl acetate 86.6
    tetrabutyl urea 48.67
    diisobutyl methanol 24.88
    2-phenylethanol 62.46
    styrene 63.05
    dioctyl adipate 62.54
    dimethyl sulfate 65.57
    ethyl butyrate 88.74
    methyl lactate 30.39
    butyl lactate 79.67
    diethyl carbonate 51.05
    propanediol butyl ether 41.15
    triethyl orthoformate 81.84
    p-tert-butyltoluene 35.44
    methyl 4-tert-butylbenzoate 109.5
    morpholine 121.5
    tert-butylamine 14.93
    n-dodecanol 12.78
    dimethoxymethane 70.53
    ethylene carbonate 88.03
    cyrene 78.6
    2-ethoxyethyl acetate 147.05
    2-ethylhexyl acetate 99.88
    1,2,4-trichlorobenzene 162.62
    4-methylpyridine 147.49
    dibutyl ether 43.94
    2,6-dimethyl-4-heptanol 24.88
    DEF 117.42
    dimethyl isosorbide 142.25
    tetrachloroethylene 141.3
    eugenol 81.8
    triacetin 116.94
    span 80 69.57
    1,4-butanediol 7.0
    1,1-dichloroethane 116.61
    2-methyl-1-pentanol 43.04
    methyl formate 17.15
    2-methyl-1-butanol 45.61
    n-decane 5.41
    butyronitrile 35.1
    3,7-dimethyl-1-octanol 29.89
    1-chlorooctane 27.6
    1-chlorotetradecane 8.05
    n-nonane 4.53
    undecane 3.15
    tert-butylcyclohexane 9.98
    cyclooctane 10.03
    cyclopentanol 53.94
    tetrahydropyran 165.1
    tert-amyl methyl ether 61.66
    2,5,8-trioxanonane 91.38
    1-hexene 41.09
    2-isopropoxyethanol 44.23
    2,2,2-trifluoroethanol 17.87
    methyl butyrate 91.28

    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