Cholesteryl Linoleate

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  • Identifiers

    CAS number
    604-33-1

    Molecular formula
    C45H76O2

    SMILES
    CCCCC/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
    Waxy 56.13%
    Woody 53.69%
    Oily 49.41%
    Fatty 46.94%
    Balsamic 36.68%
    Sandalwood 33.18%
    Green 31.92%
    Floral 30.21%
    Sweet 28.53%
    Fruity 28.33%

     

    Flavor
    Waxy 24.77%
    Faint 24.08%
    Woody 23.92%
    Diterpene 20.59%
    Delicate 20.4%
    Low 20.33%
    Slightly waxy 20.3%
    Terpentine 19.77%
    Sandalwood 19.69%
    Mild 19.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    15.9

    pKa est.
    -78.23 (strong acid)

    Molecular weight
    649.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    631°C

    Flash point

    • -236.9 ˚C est.

  • Synonyms

    • Cholesteryl linoleate
    • Cholesterol Linoleate
    • 604-33-1
    • 18:2 Cholesteryl ester
    • Cholesterol, linoleate
    • CE(18:2)
    • CE(18:2(9Z,12Z))
    • Cholest-5-en-3beta-yl (Z,Z)-octadeca-9,12-dienoate
    • (Z,Z)-(3beta)-Cholest-5-en-3-ol 9,12-octadecadienoate
    • 75427237HI
    • CHEBI:41509
    • cholest-5-en-3beta-yl (9Z,12Z-octadecadienoate)
    • (3beta)-cholest-5-en-3-ol, (Z,Z)-9,12-octadecadienoate
    • (3beta)-cholest-5-en-3-ol, (9Z,12Z)-9,12-octadecadienoate
    • NSC-18183
    • [(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)-octadeca-9,12-dienoate
    • ((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)-octadeca-9,12-dienoate
    • RefChem:125710
    • cholesteryl trans-9-trans-12-octadecadienoate
    • (17-(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) (9Z,12E)-octadeca-9,12-dienoate
    • (Z,Z)-(3 beta)-cholest-5-en-3-ol, 9,12-octadecadienoate
    • 210-065-9
    • Linoleic Acid Cholesterol Ester
    • MFCD00003644
    • cholesteryl (9Z,12Z-octadecadienoate)
    • C45H76O2
    • CE 18:2
    • EINECS 210-065-9
    • NSC 18183
    • SCHEMBL134101
    • orb1301991
    • UNII-75427237HI
    • LMST01020008
    • s3350
    • AKOS025310952
    • cholesteryl (9Z,12Z)-octadecadienoate
    • CS-W011413
    • DB02092
    • FC61959
    • HY-W010697
    • LINOLEIC ACID, CHOLESTERYL ESTER
    • AS-57553
    • SY057406
    • NS00044073
    • D95353
    • Q28487689
    • (Z,Z)-(3beta)-Cholest-5-en-3-ol, 9,12-octadecadienoate
    • (3beta)-cholest-5-en-3-yl (9Z,12Z)-octadeca-9,12-dienoate
    • Cholest-5-en-3-ol (3beta)-, 9,12-octadecadienoate, (Z,Z)-
    • Cholesteryl linoleate, >=98% (HPLC; detection at 205 nm)
    • CHOLEST-5-EN-3.BETA.-YL (Z,Z)-OCTADECA-9,12-DIENOATE
    • Cholest-5-en-3-ol (3beta)-, 3-((9Z,12Z)-9,12-octadecadienoate)
    • (3alpha,8alpha,17alpha)-cholest-5-en-3-yl (9Z,12Z)-octadeca-9,12-dienoate
    • [(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] (9Z,12Z)-octadeca-9,12-dienoate
    • 604-33-1

  • Applications

    Cholesteryl Linoleate (CAS 604-33-1) is a waxy cholesterol ester used primarily as a lipid ingredient in cosmetics and personal care, serving as an emollient and structuring lipid for creams, lotions, and lipsticks; it is also regarded as a lipid-based carrier component in pharmaceutical formulations such as liposome or lipid-based delivery systems, and can function as a wax-like additive to tune viscosity, gloss, and formulation stability. In coatings and inks, it may be employed as a waxy lipid additive to improve texture, appearance, and water resistance of coatings and printed materials. Additionally, it is used in research and development contexts as a model or reference lipid for studies of lipid phase behavior and lipid delivery systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.73
    methanol 7.2
    isopropanol 12.53
    water 0.04
    ethyl acetate 60.55
    n-propanol 28.44
    acetone 28.37
    n-butanol 37.05
    acetonitrile 7.51
    DMF 30.89
    toluene 100.59
    isobutanol 23.69
    1,4-dioxane 71.89
    methyl acetate 30.88
    THF 145.16
    2-butanone 62.99
    n-pentanol 32.09
    sec-butanol 21.2
    n-hexane 9.53
    ethylene glycol 0.66
    NMP 119.37
    cyclohexane 18.67
    DMSO 17.47
    n-butyl acetate 72.42
    n-octanol 20.2
    chloroform 211.28
    n-propyl acetate 52.35
    acetic acid 20.55
    dichloromethane 168.31
    cyclohexanone 155.81
    propylene glycol 1.99
    isopropyl acetate 61.98
    DMAc 102.6
    2-ethoxyethanol 34.88
    isopentanol 34.55
    n-heptane 8.54
    ethyl formate 19.99
    1,2-dichloroethane 88.5
    n-hexanol 36.47
    2-methoxyethanol 27.17
    isobutyl acetate 48.02
    tetrachloromethane 39.45
    n-pentyl acetate 85.03
    transcutol 149.23
    n-heptanol 29.46
    ethylbenzene 48.15
    MIBK 58.71
    2-propoxyethanol 73.32
    tert-butanol 10.81
    MTBE 35.13
    2-butoxyethanol 66.96
    propionic acid 20.78
    o-xylene 54.74
    formic acid 4.65
    diethyl ether 58.42
    m-xylene 58.48
    p-xylene 47.51
    chlorobenzene 106.83
    dimethyl carbonate 21.7
    n-octane 2.66
    formamide 6.2
    cyclopentanone 126.8
    2-pentanone 71.39
    anisole 69.54
    cyclopentyl methyl ether 112.19
    gamma-butyrolactone 107.57
    1-methoxy-2-propanol 35.63
    pyridine 105.99
    3-pentanone 72.68
    furfural 77.1
    n-dodecane 1.61
    diethylene glycol 15.77
    diisopropyl ether 22.55
    tert-amyl alcohol 18.92
    acetylacetone 65.5
    n-hexadecane 1.98
    acetophenone 70.45
    methyl propionate 53.35
    isopentyl acetate 83.2
    trichloroethylene 184.59
    n-nonanol 24.77
    cyclohexanol 47.9
    benzyl alcohol 42.85
    2-ethylhexanol 35.09
    isooctanol 27.88
    dipropyl ether 53.68
    1,2-dichlorobenzene 99.47
    ethyl lactate 23.98
    propylene carbonate 64.13
    n-methylformamide 14.22
    2-pentanol 25.56
    n-pentane 9.21
    1-propoxy-2-propanol 60.77
    1-methoxy-2-propyl acetate 95.88
    2-(2-methoxypropoxy) propanol 59.12
    mesitylene 33.47
    ε-caprolactone 160.59
    p-cymene 31.13
    epichlorohydrin 130.75
    1,1,1-trichloroethane 91.49
    2-aminoethanol 4.11
    morpholine-4-carbaldehyde 91.75
    sulfolane 110.08
    2,2,4-trimethylpentane 6.13
    2-methyltetrahydrofuran 130.17
    n-hexyl acetate 80.77
    isooctane 3.82
    2-(2-butoxyethoxy)ethanol 70.14
    sec-butyl acetate 53.44
    tert-butyl acetate 65.03
    decalin 10.89
    glycerin 3.98
    diglyme 131.18
    acrylic acid 14.49
    isopropyl myristate 30.12
    n-butyric acid 58.3
    acetyl acetate 44.4
    di(2-ethylhexyl) phthalate 36.51
    ethyl propionate 56.03
    nitromethane 25.73
    1,2-diethoxyethane 69.7
    benzonitrile 35.5
    trioctyl phosphate 22.72
    1-bromopropane 87.39
    gamma-valerolactone 177.16
    n-decanol 15.38
    triethyl phosphate 40.58
    4-methyl-2-pentanol 21.36
    propionitrile 18.37
    vinylene carbonate 59.65
    1,1,2-trichlorotrifluoroethane 66.43
    DMS 47.14
    cumene 30.64
    2-octanol 17.78
    2-hexanone 61.06
    octyl acetate 37.22
    limonene 41.87
    1,2-dimethoxyethane 57.7
    ethyl orthosilicate 45.78
    tributyl phosphate 26.54
    diacetone alcohol 48.47
    N,N-dimethylaniline 50.04
    acrylonitrile 15.03
    aniline 62.61
    1,3-propanediol 12.88
    bromobenzene 132.73
    dibromomethane 128.36
    1,1,2,2-tetrachloroethane 151.94
    2-methyl-cyclohexyl acetate 70.15
    tetrabutyl urea 38.25
    diisobutyl methanol 21.35
    2-phenylethanol 55.11
    styrene 52.38
    dioctyl adipate 48.79
    dimethyl sulfate 35.3
    ethyl butyrate 68.98
    methyl lactate 19.7
    butyl lactate 53.67
    diethyl carbonate 39.79
    propanediol butyl ether 29.66
    triethyl orthoformate 64.87
    p-tert-butyltoluene 27.15
    methyl 4-tert-butylbenzoate 80.05
    morpholine 93.5
    tert-butylamine 9.96
    n-dodecanol 9.9
    dimethoxymethane 47.27
    ethylene carbonate 58.29
    cyrene 62.55
    2-ethoxyethyl acetate 107.75
    2-ethylhexyl acetate 79.9
    1,2,4-trichlorobenzene 120.05
    4-methylpyridine 110.27
    dibutyl ether 33.33
    2,6-dimethyl-4-heptanol 21.35
    DEF 82.48
    dimethyl isosorbide 113.6
    tetrachloroethylene 102.08
    eugenol 64.94
    triacetin 79.96
    span 80 54.34
    1,4-butanediol 5.13
    1,1-dichloroethane 78.45
    2-methyl-1-pentanol 35.55
    methyl formate 9.95
    2-methyl-1-butanol 38.54
    n-decane 4.03
    butyronitrile 26.65
    3,7-dimethyl-1-octanol 23.63
    1-chlorooctane 20.16
    1-chlorotetradecane 6.14
    n-nonane 3.23
    undecane 2.37
    tert-butylcyclohexane 7.48
    cyclooctane 7.96
    cyclopentanol 34.12
    tetrahydropyran 135.32
    tert-amyl methyl ether 42.74
    2,5,8-trioxanonane 77.59
    1-hexene 30.33
    2-isopropoxyethanol 33.62
    2,2,2-trifluoroethanol 10.72
    methyl butyrate 63.68

    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