Cholesteryl linolenate

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  • Identifiers

    CAS number
    2545-22-4

    Molecular formula
    C45H74O2

    SMILES
    CC/C=C\C/C=C\C/C=C\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 55.34%
    Oily 52.16%
    Waxy 49.52%
    Fatty 47.85%
    Balsamic 36.56%
    Green 34.54%
    Fruity 34.06%
    Sandalwood 32.92%
    Floral 31.5%
    Sweet 30.4%

     

    Flavor
    Woody 25.11%
    Faint 22.73%
    Waxy 20.72%
    Diterpene 20.67%
    Low 20.49%
    Delicate 20.06%
    Terpentine 19.95%
    Sandalwood 19.5%
    Slightly waxy 19.46%
    Oriental 19.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.2

    pKa est.
    -78.54 (strong acid)

    Molecular weight
    647.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    633°C

    Flash point

    • -234.54 ˚C est.

  • Synonyms

    • Cholesteryl linolenate
    • 2545-22-4
    • DTXSID001014612
    • CLL-9,12,15
    • CHEBI:84341
    • RefChem:918538
    • DTXCID401437159
    • 219-824-9
    • 18:3 Cholesteryl ester
    • CE(18:3)
    • CE(18:3(9Z,12Z,15Z))
    • cholest-5-en-3beta-yl (9Z,12Z,15Z-octadecatrienoate)
    • CE 18:3
    • (9Z,12Z,15Z)-9,12,15-octadecatrienoate (3beta)-Cholest-5-en-3-ol; Cholesterol alpha-linolenate; Linolenic Acid Cholesteryl Ester; (3beta)-Cholest-5-en-3-ol (Z,Z,Z)-9,12,15-octadecatrienoate
    • [(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] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
    • EINECS 219-824-9
    • SCHEMBL466162
    • orb1992910
    • Cholest-5-en-3beta-yl (Z,Z,Z)-octadeca-9,12,15-trien-1-oate
    • LMST01020009
    • AKOS040732815
    • Cholest-5-en-3-ol (3.beta.)-, 9,12,15-octadecatrienoate, (Z,Z,Z)-
    • HY-125910
    • (9Z,12Z,15Z-octadecatrienoyl)-cholesterol
    • CS-0102948
    • NS00046575
    • 545C224
    • Q27157690
    • cholesteryl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
    • Cholest-5-en-3-yl (9E,12E,15E)-9,12,15-octadecatrienoate #
    • (3beta)-cholest-5-en-3-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
    • Cholest-5-en-3-ol (3beta)-, (9Z,12Z,15Z)-9,12,15-octadecatrienoate
    • Cholest-5-en-3beta-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoatato
    • 2545-22-4

  • Applications

    Cholesteryl linolenate (CAS 2545-22-4) is a waxy lipid used in cosmetics and personal care as an emollient and structuring agent, contributing to cream and lipstick texture and stability. In polymer and coating formulations it can act as a wax-like additive that modulates crystallinity, hardness and melt behavior, improving gloss and rheology. It is also encountered as a lipid excipient or carrier in pharmaceutical formulations and lipid-based drug delivery systems, where the cholesteryl ester can help form lipid matrices or solid lipid nanoparticles. In fragrance and perfumery formulations it may serve as a compatible lipid carrier to dissolve and stabilize aroma compounds, aiding formulation stability. Additionally, in industrial manufacturing it can function as a wax-like component to adjust melting properties in specialty wax blends and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.97
    methanol 6.32
    isopropanol 9.87
    water 0.03
    ethyl acetate 48.08
    n-propanol 23.73
    acetone 22.39
    n-butanol 30.85
    acetonitrile 5.94
    DMF 25.19
    toluene 85.85
    isobutanol 19.25
    1,4-dioxane 59.05
    methyl acetate 24.55
    THF 118.81
    2-butanone 52.15
    n-pentanol 27.62
    sec-butanol 17.2
    n-hexane 7.44
    ethylene glycol 0.54
    NMP 98.43
    cyclohexane 14.28
    DMSO 14.15
    n-butyl acetate 58.18
    n-octanol 16.38
    chloroform 185.26
    n-propyl acetate 42.07
    acetic acid 16.64
    dichloromethane 146.57
    cyclohexanone 129.22
    propylene glycol 1.62
    isopropyl acetate 48.54
    DMAc 86.56
    2-ethoxyethanol 29.59
    isopentanol 28.55
    n-heptane 6.72
    ethyl formate 16.28
    1,2-dichloroethane 75.05
    n-hexanol 30.78
    2-methoxyethanol 23.01
    isobutyl acetate 38.76
    tetrachloromethane 32.38
    n-pentyl acetate 67.7
    transcutol 124.67
    n-heptanol 24.17
    ethylbenzene 40.48
    MIBK 47.39
    2-propoxyethanol 63.18
    tert-butanol 8.35
    MTBE 27.61
    2-butoxyethanol 56.22
    propionic acid 16.79
    o-xylene 45.08
    formic acid 3.93
    diethyl ether 47.56
    m-xylene 48.72
    p-xylene 39.3
    chlorobenzene 90.78
    dimethyl carbonate 17.43
    n-octane 2.03
    formamide 5.2
    cyclopentanone 103.18
    2-pentanone 58.27
    anisole 59.33
    cyclopentyl methyl ether 91.59
    gamma-butyrolactone 86.53
    1-methoxy-2-propanol 29.9
    pyridine 90.8
    3-pentanone 59.83
    furfural 64.52
    n-dodecane 1.25
    diethylene glycol 13.28
    diisopropyl ether 17.58
    tert-amyl alcohol 14.97
    acetylacetone 52.68
    n-hexadecane 1.54
    acetophenone 59.72
    methyl propionate 43.15
    isopentyl acetate 67.96
    trichloroethylene 158.74
    n-nonanol 20.22
    cyclohexanol 38.92
    benzyl alcohol 36.53
    2-ethylhexanol 29.25
    isooctanol 22.77
    dipropyl ether 44.12
    1,2-dichlorobenzene 83.79
    ethyl lactate 19.59
    propylene carbonate 51.29
    n-methylformamide 11.68
    2-pentanol 20.39
    n-pentane 7.13
    1-propoxy-2-propanol 51.09
    1-methoxy-2-propyl acetate 79.29
    2-(2-methoxypropoxy) propanol 49.98
    mesitylene 27.27
    ε-caprolactone 131.57
    p-cymene 25.7
    epichlorohydrin 109.37
    1,1,1-trichloroethane 74.12
    2-aminoethanol 3.42
    morpholine-4-carbaldehyde 76.68
    sulfolane 89.61
    2,2,4-trimethylpentane 4.79
    2-methyltetrahydrofuran 105.38
    n-hexyl acetate 64.36
    isooctane 2.96
    2-(2-butoxyethoxy)ethanol 58.95
    sec-butyl acetate 42.68
    tert-butyl acetate 50.93
    decalin 8.69
    glycerin 3.31
    diglyme 110.78
    acrylic acid 11.87
    isopropyl myristate 24.34
    n-butyric acid 47.39
    acetyl acetate 35.24
    di(2-ethylhexyl) phthalate 30.47
    ethyl propionate 44.78
    nitromethane 20.55
    1,2-diethoxyethane 56.94
    benzonitrile 29.43
    trioctyl phosphate 18.42
    1-bromopropane 73.69
    gamma-valerolactone 147.68
    n-decanol 12.56
    triethyl phosphate 33.51
    4-methyl-2-pentanol 17.31
    propionitrile 14.96
    vinylene carbonate 49.05
    1,1,2-trichlorotrifluoroethane 56.31
    DMS 38.08
    cumene 25.67
    2-octanol 14.17
    2-hexanone 50.71
    octyl acetate 30.1
    limonene 34.13
    1,2-dimethoxyethane 49.1
    ethyl orthosilicate 37.96
    tributyl phosphate 21.56
    diacetone alcohol 39.27
    N,N-dimethylaniline 42.77
    acrylonitrile 12.36
    aniline 52.17
    1,3-propanediol 10.65
    bromobenzene 112.65
    dibromomethane 111.07
    1,1,2,2-tetrachloroethane 129.48
    2-methyl-cyclohexyl acetate 58.72
    tetrabutyl urea 31.58
    diisobutyl methanol 17.29
    2-phenylethanol 47.3
    styrene 43.96
    dioctyl adipate 39.84
    dimethyl sulfate 28.56
    ethyl butyrate 56.27
    methyl lactate 16.05
    butyl lactate 43.2
    diethyl carbonate 32.36
    propanediol butyl ether 24.39
    triethyl orthoformate 53.73
    p-tert-butyltoluene 22.1
    methyl 4-tert-butylbenzoate 66.66
    morpholine 77.29
    tert-butylamine 7.65
    n-dodecanol 8.05
    dimethoxymethane 39.19
    ethylene carbonate 47.03
    cyrene 53.78
    2-ethoxyethyl acetate 86.94
    2-ethylhexyl acetate 65.25
    1,2,4-trichlorobenzene 100.95
    4-methylpyridine 92.76
    dibutyl ether 26.96
    2,6-dimethyl-4-heptanol 17.29
    DEF 67.29
    dimethyl isosorbide 95.86
    tetrachloroethylene 87.38
    eugenol 55.12
    triacetin 63.97
    span 80 45.37
    1,4-butanediol 4.21
    1,1-dichloroethane 64.8
    2-methyl-1-pentanol 30.32
    methyl formate 8.09
    2-methyl-1-butanol 31.94
    n-decane 3.13
    butyronitrile 21.93
    3,7-dimethyl-1-octanol 19.06
    1-chlorooctane 16.05
    1-chlorotetradecane 4.91
    n-nonane 2.48
    undecane 1.84
    tert-butylcyclohexane 5.93
    cyclooctane 6.15
    cyclopentanol 26.93
    tetrahydropyran 112.03
    tert-amyl methyl ether 34.02
    2,5,8-trioxanonane 65.41
    1-hexene 24.76
    2-isopropoxyethanol 28.17
    2,2,2-trifluoroethanol 8.5
    methyl butyrate 51.43

    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