Cholesteryl caprylate

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  • Identifiers

    CAS number
    1182-42-9

    Molecular formula
    C35H60O2

    SMILES
    CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 72.17%
    Waxy 50.29%
    Sandalwood 45.49%
    Balsamic 44.85%
    Floral 39.31%
    Amber 39.29%
    Oily 38.21%
    Dry 31.74%
    Herbal 31.22%
    Fatty 29.27%

     

    Flavor
    Woody 32.51%
    Waxy 30.4%
    Mild 27.62%
    Herbal 23.01%
    Oily 22.95%
    Herb 22.38%
    Wood 21.83%
    Sandalwood 21.45%
    Balsam 21.42%
    Slightly waxy 20.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    12.1

    pKa est.
    7.45 (neutral)

    Molecular weight
    512.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    536°C

    Flash point

    • 241.59 ˚C est.

  • Synonyms

    • Cholesteryl caprylate
    • 1182-42-9
    • Cholesteryl octanoate
    • X9U26HA4Z2
    • DTXSID00152038
    • cholesterol octanoate
    • RefChem:125720
    • DTXCID3074529
    • 214-656-2
    • Cholesterol n-Octanoate
    • MFCD00003642
    • cholesterol caprylate
    • Cholesteryl Octanoate (Caprylate)
    • n-Octanoic Acid Cholesterol Ester
    • [(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] octanoate
    • Cholest-5-en-3-ol (3.beta.)-, octanoate
    • 5-Cholesten-3.beta.-ol caprylate
    • (3S,8S,9S,10R,13R,14S,17R)-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]phenanthren-3-yl octanoate
    • C35H60O2
    • Cholesteryl n-octanoate
    • Cholesterol n-Caprylate
    • (3S,8S,9S,10R,13R,14S,17R)-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]phenanthren-3-yl Octanoate
    • Cholest-5-ene-3-beta-yl octanoate
    • EINECS 214-656-2
    • CAPRYLIC ACID CHOLESTEROL ESTER
    • UNII-X9U26HA4Z2
    • CHOLESTEROL, OCTANOATE
    • SCHEMBL161053
    • Cholest-5-en-3beta-yl octanoate
    • 3.beta.-Octanoyloxycholest-5-ene
    • SKLBBRQPVZDTNM-SJTWHRLHSA-N
    • 5-Cholesten-3beta-ol 3-octanoate
    • AKOS024306975
    • CHOLESTERYL CAPRYLATE [USP-RS]
    • FC61960
    • HY-W127349
    • [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] octanoate
    • AS-57523
    • SY059912
    • 3.BETA.-(OCTANOYLOXY)CHOLEST-5-ENE
    • CS-0185587
    • NS00023805
    • ST50308046
    • D95346
    • 182C429
    • CHOLEST-5-EN-3-OL (3.BETA.)-, 3-OCTANOATE
    • Cholesteryl caprylate, United States Pharmacopeia (USP) Reference Standard
    • 14-((1R)-1,5-dimethylhexyl)(1S,5S,10S,11S,2R,14R,15R)-2,15-dimethyltetracyclo[ 8.7.0.0<2,7>.0<11,15>]heptadec-7-en-5-yl octanoate
    • 1182-42-9

  • Applications

    Cholesteryl caprylate (CAS 1182-42-9) is a lipophilic cholesterol ester widely used in cosmetics and personal care as a skin-conditioning emollient and lubricant, improving slip, texture, and spreadability in creams, lotions, and lip products. It also serves in perfumery as a fragrance carrier, helping to solubilize and stabilize fragrance oils in lipid-rich bases. In polymers and plastics, it can act as a wax-like additive to modify rheology, lubricity, and surface feel of lipid-containing formulations and coatings. Additionally, it may be employed in specialty coatings and adhesives where a non-polar lipophilic component is desirable to tune texture and gloss.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.83
    methanol 9.04
    isopropanol 21.6
    water 0.06
    ethyl acetate 70.49
    n-propanol 43.33
    acetone 40.33
    n-butanol 53.86
    acetonitrile 10.91
    DMF 39.61
    toluene 116.43
    isobutanol 35.68
    1,4-dioxane 98.05
    methyl acetate 37.86
    THF 184.26
    2-butanone 72.99
    n-pentanol 41.03
    sec-butanol 28.28
    n-hexane 8.99
    ethylene glycol 1.02
    NMP 124.6
    cyclohexane 20.38
    DMSO 20.64
    n-butyl acetate 81.99
    n-octanol 24.9
    chloroform 219.67
    n-propyl acetate 58.63
    acetic acid 25.43
    dichloromethane 173.18
    cyclohexanone 166.18
    propylene glycol 3.01
    isopropyl acetate 74.84
    DMAc 109.03
    2-ethoxyethanol 47.19
    isopentanol 50.4
    n-heptane 8.08
    ethyl formate 23.85
    1,2-dichloroethane 97.51
    n-hexanol 47.47
    2-methoxyethanol 40.08
    isobutyl acetate 57.32
    tetrachloromethane 42.63
    n-pentyl acetate 95.74
    transcutol 214.7
    n-heptanol 37.13
    ethylbenzene 49.12
    MIBK 71.88
    2-propoxyethanol 97.41
    tert-butanol 17.43
    MTBE 45.67
    2-butoxyethanol 82.56
    propionic acid 25.47
    o-xylene 60.49
    formic acid 5.7
    diethyl ether 75.61
    m-xylene 69.33
    p-xylene 51.47
    chlorobenzene 116.83
    dimethyl carbonate 24.93
    n-octane 2.46
    formamide 7.73
    cyclopentanone 142.84
    2-pentanone 84.34
    anisole 77.74
    cyclopentyl methyl ether 127.94
    gamma-butyrolactone 119.71
    1-methoxy-2-propanol 52.13
    pyridine 122.68
    3-pentanone 76.59
    furfural 88.16
    n-dodecane 1.54
    diethylene glycol 24.54
    diisopropyl ether 27.98
    tert-amyl alcohol 23.24
    acetylacetone 81.88
    n-hexadecane 1.91
    acetophenone 74.9
    methyl propionate 59.24
    isopentyl acetate 95.5
    trichloroethylene 189.21
    n-nonanol 29.01
    cyclohexanol 58.15
    benzyl alcohol 52.4
    2-ethylhexanol 40.94
    isooctanol 34.03
    dipropyl ether 58.37
    1,2-dichlorobenzene 103.73
    ethyl lactate 27.96
    propylene carbonate 72.57
    n-methylformamide 17.52
    2-pentanol 34.61
    n-pentane 9.95
    1-propoxy-2-propanol 78.59
    1-methoxy-2-propyl acetate 111.47
    2-(2-methoxypropoxy) propanol 69.02
    mesitylene 39.85
    ε-caprolactone 167.88
    p-cymene 34.07
    epichlorohydrin 146.49
    1,1,1-trichloroethane 98.74
    2-aminoethanol 6.34
    morpholine-4-carbaldehyde 108.86
    sulfolane 117.15
    2,2,4-trimethylpentane 6.2
    2-methyltetrahydrofuran 149.75
    n-hexyl acetate 89.17
    isooctane 4.39
    2-(2-butoxyethoxy)ethanol 92.6
    sec-butyl acetate 58.62
    tert-butyl acetate 77.57
    decalin 10.65
    glycerin 6.0
    diglyme 170.19
    acrylic acid 17.67
    isopropyl myristate 33.35
    n-butyric acid 70.31
    acetyl acetate 54.2
    di(2-ethylhexyl) phthalate 42.78
    ethyl propionate 58.43
    nitromethane 32.46
    1,2-diethoxyethane 89.55
    benzonitrile 47.28
    trioctyl phosphate 26.89
    1-bromopropane 88.83
    gamma-valerolactone 204.41
    n-decanol 17.99
    triethyl phosphate 41.22
    4-methyl-2-pentanol 28.45
    propionitrile 23.24
    vinylene carbonate 67.22
    1,1,2-trichlorotrifluoroethane 74.54
    DMS 53.45
    cumene 32.51
    2-octanol 21.34
    2-hexanone 66.18
    octyl acetate 41.53
    limonene 44.04
    1,2-dimethoxyethane 74.92
    ethyl orthosilicate 47.71
    tributyl phosphate 30.9
    diacetone alcohol 60.15
    N,N-dimethylaniline 53.43
    acrylonitrile 19.51
    aniline 75.75
    1,3-propanediol 20.1
    bromobenzene 136.69
    dibromomethane 129.87
    1,1,2,2-tetrachloroethane 153.62
    2-methyl-cyclohexyl acetate 75.29
    tetrabutyl urea 43.23
    diisobutyl methanol 24.35
    2-phenylethanol 67.91
    styrene 55.09
    dioctyl adipate 54.62
    dimethyl sulfate 38.35
    ethyl butyrate 72.82
    methyl lactate 23.68
    butyl lactate 63.04
    diethyl carbonate 43.82
    propanediol butyl ether 40.6
    triethyl orthoformate 69.06
    p-tert-butyltoluene 30.05
    methyl 4-tert-butylbenzoate 88.98
    morpholine 123.19
    tert-butylamine 15.04
    n-dodecanol 11.63
    dimethoxymethane 61.12
    ethylene carbonate 66.87
    cyrene 72.02
    2-ethoxyethyl acetate 126.41
    2-ethylhexyl acetate 87.9
    1,2,4-trichlorobenzene 125.4
    4-methylpyridine 125.07
    dibutyl ether 36.25
    2,6-dimethyl-4-heptanol 24.35
    DEF 88.56
    dimethyl isosorbide 130.68
    tetrachloroethylene 105.86
    eugenol 75.58
    triacetin 91.51
    span 80 65.0
    1,4-butanediol 8.11
    1,1-dichloroethane 87.48
    2-methyl-1-pentanol 43.19
    methyl formate 11.99
    2-methyl-1-butanol 51.93
    n-decane 3.83
    butyronitrile 35.16
    3,7-dimethyl-1-octanol 28.24
    1-chlorooctane 20.72
    1-chlorotetradecane 6.31
    n-nonane 3.11
    undecane 2.27
    tert-butylcyclohexane 7.41
    cyclooctane 7.97
    cyclopentanol 42.94
    tetrahydropyran 161.54
    tert-amyl methyl ether 47.39
    2,5,8-trioxanonane 97.37
    1-hexene 30.05
    2-isopropoxyethanol 45.32
    2,2,2-trifluoroethanol 14.04
    methyl butyrate 67.64

    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