Cholesteryl chloride

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  • Identifiers

    CAS number
    910-31-6

    Molecular formula
    C27H45Cl

    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)Cl)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 73.21%
    Waxy 44.42%
    Sandalwood 38.48%
    Balsamic 37.8%
    Spicy 37.34%
    Herbal 35.62%
    Amber 34.49%
    Dry 34.36%
    Oily 34.13%
    Green 32.6%

     

    Flavor
    Woody 43.13%
    Wood 36.64%
    Herb 30.46%
    Spice 30.37%
    Fir needle 24.17%
    Herbal 24.12%
    Waxy 24.04%
    Terpentine 21.87%
    Sandalwood 21.79%
    Pine 21.64%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.8

    pKa est.
    8.21 (weak base)

    Molecular weight
    405.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    483°C

    Flash point

    • 208.9 ˚C est.

  • Synonyms

    • Cholesteryl chloride
    • 3-Chlorocholestene
    • 910-31-6
    • Cholesterol chloride
    • 3-Chlorocholest-5-ene
    • 3beta-Chlorocholest-5-ene
    • 39EHZ05V39
    • NSC-2084
    • Cholest-5-ene, 3beta-chloro-
    • DTXSID90883602
    • Cholest-5-ene, 3-chloro-, (3beta)-
    • DTXSID20862465
    • cholesteryl beta-chloride
    • RefChem:125701
    • DTXCID90811223
    • DTXCID201023116
    • (1R,3aS,3bS,7S,9aR,9bS,11aR)-7-chloro-9a,11a-dimethyl-1-((2R)-6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthrene
    • 213-004-4
    • Cholest-5-ene, 3.beta.-chloro-
    • Cholest-5-ene, 3-chloro-, (3.beta.)-
    • 3.beta.-Chlorocholest-5-ene
    • MFCD00003632
    • (3S,8S,9S,10R,13R,14S,17R)-3-Chloro-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
    • 3-beta-Chlorocholest-5-ene
    • C27H45Cl
    • (3S,8S,9S,10R,13R,14S,17R)-3-chloro-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]phenanthrene
    • 3beta-Chloro-5-cholestene
    • Cholest-5-ene, 3-chloro-, (3b)-
    • UNII-39EHZ05V39
    • (8S,9S,10R,13R,14S,17R)-3-Chloro-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
    • NSC 2084
    • EINECS 213-004-4
    • AI3-24122
    • 5-Cholesten-3beta-chloride
    • Cholesteryl chloride, 97%
    • 3I(2)-Chlorocholest-5-ene
    • Cholest-5-ene, 3beta-chloro
    • SCHEMBL137414
    • 5-Cholesten-3.beta.-chloride
    • 3-Chlorocholestene from beef fat
    • NSC2084
    • Cholesteryl chloride from beef fat
    • 3.BETA.-CHOLESTERYL CHLORIDE
    • AKOS025310592
    • 5-Cholesten-3b-chloride from beef fat
    • DB14045
    • FC61962
    • 3-Chlorocholest-5-ene-, (3.beta.)-
    • (3S,8S,9S,10R,13R,14S,17R)-3-chloro-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
    • SY111992
    • C0610
    • NS00013457
    • 910C316
    • Q5104323
    • (3S,8S,9S,10R,13R,14S,17R)-3-Chloro-10,13-dimethyl-17-[(R)-6-methyl-2-heptyl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene
    • 910-31-6

  • Applications

    Cholesteryl chloride (CAS 910-31-6) is commonly used as a precursor for cholesterol-based derivatives and cholesterol-derived surfactants for cosmetics and personal care; it also serves as a lipid component in liposome formulations and lipid-based drug-delivery research; in addition, it is a feedstock for preparing cholesterol esters and other derivatives to improve stability and emulsification in cosmetic and cleaning formulations; it can function as a precursor for lipid-containing polymers and lipid-based materials used in coatings; and it is sometimes explored in lipid-based nanotechnology and lipid self-assembly research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.07
    methanol 2.34
    isopropanol 15.13
    water 0.03
    ethyl acetate 59.48
    n-propanol 23.4
    acetone 35.93
    n-butanol 38.97
    acetonitrile 5.17
    DMF 20.79
    toluene 179.55
    isobutanol 24.54
    1,4-dioxane 106.49
    methyl acetate 26.09
    THF 178.88
    2-butanone 53.75
    n-pentanol 27.73
    sec-butanol 17.64
    n-hexane 8.31
    ethylene glycol 0.49
    NMP 57.16
    cyclohexane 25.64
    DMSO 8.83
    n-butyl acetate 101.41
    n-octanol 26.45
    chloroform 137.54
    n-propyl acetate 54.17
    acetic acid 7.32
    dichloromethane 87.68
    cyclohexanone 133.24
    propylene glycol 1.46
    isopropyl acetate 79.58
    DMAc 51.7
    2-ethoxyethanol 28.33
    isopentanol 47.87
    n-heptane 17.2
    ethyl formate 14.12
    1,2-dichloroethane 57.35
    n-hexanol 48.27
    2-methoxyethanol 22.23
    isobutyl acetate 65.73
    tetrachloromethane 32.34
    n-pentyl acetate 92.56
    transcutol 214.88
    n-heptanol 39.57
    ethylbenzene 58.98
    MIBK 85.79
    2-propoxyethanol 76.03
    tert-butanol 18.0
    MTBE 59.0
    2-butoxyethanol 71.24
    propionic acid 9.83
    o-xylene 84.08
    formic acid 1.17
    diethyl ether 82.43
    m-xylene 119.06
    p-xylene 67.48
    chlorobenzene 95.37
    dimethyl carbonate 17.09
    n-octane 4.66
    formamide 1.9
    cyclopentanone 107.49
    2-pentanone 78.69
    anisole 94.68
    cyclopentyl methyl ether 136.39
    gamma-butyrolactone 64.85
    1-methoxy-2-propanol 32.8
    pyridine 97.3
    3-pentanone 66.67
    furfural 54.9
    n-dodecane 2.72
    diethylene glycol 17.79
    diisopropyl ether 48.26
    tert-amyl alcohol 18.91
    acetylacetone 78.9
    n-hexadecane 3.48
    acetophenone 76.0
    methyl propionate 42.92
    isopentyl acetate 132.35
    trichloroethylene 119.49
    n-nonanol 33.26
    cyclohexanol 47.29
    benzyl alcohol 43.52
    2-ethylhexanol 54.68
    isooctanol 42.81
    dipropyl ether 99.59
    1,2-dichlorobenzene 89.46
    ethyl lactate 19.83
    propylene carbonate 49.28
    n-methylformamide 5.44
    2-pentanol 30.95
    n-pentane 12.29
    1-propoxy-2-propanol 80.32
    1-methoxy-2-propyl acetate 137.99
    2-(2-methoxypropoxy) propanol 74.05
    mesitylene 73.74
    ε-caprolactone 115.92
    p-cymene 61.7
    epichlorohydrin 88.61
    1,1,1-trichloroethane 77.73
    2-aminoethanol 2.52
    morpholine-4-carbaldehyde 76.66
    sulfolane 55.01
    2,2,4-trimethylpentane 8.9
    2-methyltetrahydrofuran 132.41
    n-hexyl acetate 89.42
    isooctane 8.78
    2-(2-butoxyethoxy)ethanol 92.92
    sec-butyl acetate 64.68
    tert-butyl acetate 102.75
    decalin 14.66
    glycerin 3.08
    diglyme 170.46
    acrylic acid 6.28
    isopropyl myristate 46.87
    n-butyric acid 39.7
    acetyl acetate 47.24
    di(2-ethylhexyl) phthalate 44.88
    ethyl propionate 52.7
    nitromethane 10.74
    1,2-diethoxyethane 125.16
    benzonitrile 44.83
    trioctyl phosphate 29.52
    1-bromopropane 58.15
    gamma-valerolactone 140.63
    n-decanol 23.02
    triethyl phosphate 50.15
    4-methyl-2-pentanol 34.5
    propionitrile 14.83
    vinylene carbonate 43.67
    1,1,2-trichlorotrifluoroethane 36.7
    DMS 47.46
    cumene 44.46
    2-octanol 25.72
    2-hexanone 58.06
    octyl acetate 48.07
    limonene 73.01
    1,2-dimethoxyethane 68.93
    ethyl orthosilicate 60.18
    tributyl phosphate 31.53
    diacetone alcohol 60.41
    N,N-dimethylaniline 68.53
    acrylonitrile 10.54
    aniline 74.44
    1,3-propanediol 10.66
    bromobenzene 128.21
    dibromomethane 67.67
    1,1,2,2-tetrachloroethane 92.09
    2-methyl-cyclohexyl acetate 97.77
    tetrabutyl urea 45.59
    diisobutyl methanol 43.17
    2-phenylethanol 74.61
    styrene 64.12
    dioctyl adipate 62.82
    dimethyl sulfate 20.91
    ethyl butyrate 96.28
    methyl lactate 13.46
    butyl lactate 51.59
    diethyl carbonate 55.56
    propanediol butyl ether 32.91
    triethyl orthoformate 97.86
    p-tert-butyltoluene 59.21
    methyl 4-tert-butylbenzoate 95.43
    morpholine 97.76
    tert-butylamine 18.2
    n-dodecanol 16.68
    dimethoxymethane 51.94
    ethylene carbonate 42.91
    cyrene 60.11
    2-ethoxyethyl acetate 120.74
    2-ethylhexyl acetate 123.33
    1,2,4-trichlorobenzene 105.71
    4-methylpyridine 116.8
    dibutyl ether 55.45
    2,6-dimethyl-4-heptanol 43.17
    DEF 64.15
    dimethyl isosorbide 142.56
    tetrachloroethylene 63.56
    eugenol 76.63
    triacetin 82.96
    span 80 61.88
    1,4-butanediol 4.5
    1,1-dichloroethane 57.64
    2-methyl-1-pentanol 38.21
    methyl formate 4.69
    2-methyl-1-butanol 42.0
    n-decane 6.59
    butyronitrile 27.17
    3,7-dimethyl-1-octanol 38.98
    1-chlorooctane 26.48
    1-chlorotetradecane 9.63
    n-nonane 5.39
    undecane 3.97
    tert-butylcyclohexane 12.48
    cyclooctane 12.11
    cyclopentanol 28.22
    tetrahydropyran 155.27
    tert-amyl methyl ether 51.98
    2,5,8-trioxanonane 113.7
    1-hexene 26.05
    2-isopropoxyethanol 35.12
    2,2,2-trifluoroethanol 4.16
    methyl butyrate 54.48

    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