Cholesteryl valerate

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  • Identifiers

    CAS number
    7726-03-6

    Molecular formula
    C32H54O2

    SMILES
    CCCCC(=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 81.69%
    Sandalwood 48.37%
    Balsamic 47.35%
    Amber 45.75%
    Waxy 39.56%
    Dry 38.09%
    Cedar 35.8%
    Vetiver 35.09%
    Oily 34.82%
    Herbal 34.56%

     

    Flavor
    Woody 39.99%
    Herbal 29.44%
    Herb 27.48%
    Waxy 27.45%
    Wood 26.9%
    Mild 25.2%
    Spice 24.12%
    Balsam 22.86%
    Sandalwood 21.78%
    Warm 21.03%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.5

    pKa est.
    7.16 (neutral)

    Molecular weight
    470.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    503°C

    Flash point

    • 233.79 ˚C est.

  • Synonyms

    • 7726-03-6
    • Cholesteryl valerate
    • Cholesteryl pentanoate
    • WJ4NKG39ZH
    • Cholest-5-en-3-ol (3beta), pentanoate
    • RefChem:918540
    • 231-773-4
    • Cholesterol Valerate
    • Cholesterol n-valerate
    • Cholesteryl n-valerate
    • CHOLESTERYL PENTANOATE (VALERATE)
    • [(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] pentanoate
    • cholest-5-en-3beta-yl pentanoate
    • CE(5:0)
    • Valeric Acid Cholesterol Ester
    • (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 pentanoate
    • Cholest-5-en-3-yl pentanoate
    • C32H54O2
    • MFCD00037706
    • Cholesterol pentanoate
    • 5:0 Cholesteryl ester
    • UNII-WJ4NKG39ZH
    • Cholesterol pentanoic acid
    • Cholesteryl pentanoic acid
    • 5-Cholesten-3b-ol valerate
    • Cholesterol Valerate , 95%
    • Cholest-5-en-3b-ol valerate
    • SCHEMBL160533
    • Valeric acid cholesteryl ester
    • orb3029160
    • Cholest-5-en-3beta-yl valerate
    • DTXSID90998503
    • Cholest-5-en-3-yl pentanoate #
    • EINECS 231-773-4
    • (3b)-Cholest-5-en-3-ol pentanoate
    • AKOS027381478
    • HY-W127585
    • (3b)-Cholest-5-en-3-ol pentanoic acid
    • AS-58819
    • Cholest-5-en-3-ol (3.beta.)-, pentanoate
    • CS-0185806
    • NS00045259
    • D95345
    • F341827
    • CHOLEST-5-EN-3-OL (3.BETA.)-, 3-PENTANOATE
    • Cholesteryl n-valerate, >=90% (HPLC; detection at 205 nm)
    • [(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] pentanoate
    • 7726-03-6

  • Applications

    Cholesteryl valerate (CAS 7726-03-6) is a waxy lipid ester used primarily in cosmetics and personal care as an emollient and thickener for creams, emulsions, and gels; it can also function as a structuring lipid that helps stabilize formulations. In the plastics and polymer sector, it is used as a wax-like additive to adjust processing, softness, and crystallinity of polymers; similarly, it can serve as a wax additive in coatings and inks to improve gloss and stability. In pharmaceuticals, it can be considered as a lipid-based excipient or lipid component for liposomal or lipid-emulsion systems, supporting stability and delivery. In household products, it may act as a wax-like additive in polishes and cleaning formulations to impart gloss and body.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 27.59
    methanol 7.05
    isopropanol 24.54
    water 0.05
    ethyl acetate 63.87
    n-propanol 43.37
    acetone 39.03
    n-butanol 56.28
    acetonitrile 10.68
    DMF 32.42
    toluene 125.95
    isobutanol 36.57
    1,4-dioxane 100.28
    methyl acetate 33.17
    THF 178.84
    2-butanone 67.43
    n-pentanol 43.36
    sec-butanol 28.09
    n-hexane 8.39
    ethylene glycol 0.88
    NMP 96.81
    cyclohexane 20.97
    DMSO 16.5
    n-butyl acetate 77.88
    n-octanol 24.45
    chloroform 195.52
    n-propyl acetate 53.21
    acetic acid 20.14
    dichloromethane 143.13
    cyclohexanone 150.8
    propylene glycol 2.68
    isopropyl acetate 70.74
    DMAc 91.25
    2-ethoxyethanol 46.19
    isopentanol 55.4
    n-heptane 7.36
    ethyl formate 19.98
    1,2-dichloroethane 85.82
    n-hexanol 50.92
    2-methoxyethanol 37.17
    isobutyl acetate 56.27
    tetrachloromethane 36.06
    n-pentyl acetate 83.39
    transcutol 219.44
    n-heptanol 37.21
    ethylbenzene 49.65
    MIBK 72.77
    2-propoxyethanol 100.03
    tert-butanol 19.17
    MTBE 46.25
    2-butoxyethanol 78.72
    propionic acid 20.63
    o-xylene 61.42
    formic acid 4.17
    diethyl ether 78.65
    m-xylene 76.33
    p-xylene 53.18
    chlorobenzene 110.45
    dimethyl carbonate 20.08
    n-octane 2.13
    formamide 5.98
    cyclopentanone 125.57
    2-pentanone 80.78
    anisole 77.51
    cyclopentyl methyl ether 120.61
    gamma-butyrolactone 98.36
    1-methoxy-2-propanol 51.42
    pyridine 117.59
    3-pentanone 70.69
    furfural 76.13
    n-dodecane 1.4
    diethylene glycol 24.83
    diisopropyl ether 29.21
    tert-amyl alcohol 22.52
    acetylacetone 76.67
    n-hexadecane 1.75
    acetophenone 71.25
    methyl propionate 50.26
    isopentyl acetate 94.98
    trichloroethylene 164.35
    n-nonanol 28.7
    cyclohexanol 57.85
    benzyl alcohol 52.26
    2-ethylhexanol 41.75
    isooctanol 34.17
    dipropyl ether 56.82
    1,2-dichlorobenzene 94.61
    ethyl lactate 24.7
    propylene carbonate 59.53
    n-methylformamide 13.28
    2-pentanol 35.85
    n-pentane 9.84
    1-propoxy-2-propanol 79.45
    1-methoxy-2-propyl acetate 109.1
    2-(2-methoxypropoxy) propanol 66.43
    mesitylene 43.07
    ε-caprolactone 143.55
    p-cymene 34.4
    epichlorohydrin 127.35
    1,1,1-trichloroethane 86.01
    2-aminoethanol 5.63
    morpholine-4-carbaldehyde 95.95
    sulfolane 90.21
    2,2,4-trimethylpentane 5.88
    2-methyltetrahydrofuran 138.31
    n-hexyl acetate 81.3
    isooctane 4.56
    2-(2-butoxyethoxy)ethanol 92.56
    sec-butyl acetate 55.0
    tert-butyl acetate 73.68
    decalin 10.44
    glycerin 5.35
    diglyme 161.97
    acrylic acid 13.78
    isopropyl myristate 31.7
    n-butyric acid 60.81
    acetyl acetate 47.92
    di(2-ethylhexyl) phthalate 39.97
    ethyl propionate 51.01
    nitromethane 25.41
    1,2-diethoxyethane 90.61
    benzonitrile 48.67
    trioctyl phosphate 25.25
    1-bromopropane 82.05
    gamma-valerolactone 182.16
    n-decanol 18.32
    triethyl phosphate 37.19
    4-methyl-2-pentanol 30.89
    propionitrile 23.64
    vinylene carbonate 55.22
    1,1,2-trichlorotrifluoroethane 61.89
    DMS 47.4
    cumene 33.25
    2-octanol 20.51
    2-hexanone 63.72
    octyl acetate 38.82
    limonene 42.91
    1,2-dimethoxyethane 75.1
    ethyl orthosilicate 44.5
    tributyl phosphate 28.29
    diacetone alcohol 57.47
    N,N-dimethylaniline 53.13
    acrylonitrile 18.78
    aniline 75.73
    1,3-propanediol 19.4
    bromobenzene 128.33
    dibromomethane 112.12
    1,1,2,2-tetrachloroethane 133.19
    2-methyl-cyclohexyl acetate 70.9
    tetrabutyl urea 39.91
    diisobutyl methanol 25.09
    2-phenylethanol 71.03
    styrene 55.67
    dioctyl adipate 50.4
    dimethyl sulfate 28.8
    ethyl butyrate 66.43
    methyl lactate 19.88
    butyl lactate 56.41
    diethyl carbonate 39.06
    propanediol butyl ether 38.95
    triethyl orthoformate 64.55
    p-tert-butyltoluene 30.26
    methyl 4-tert-butylbenzoate 82.89
    morpholine 119.84
    tert-butylamine 16.51
    n-dodecanol 11.94
    dimethoxymethane 57.0
    ethylene carbonate 55.34
    cyrene 66.83
    2-ethoxyethyl acetate 113.06
    2-ethylhexyl acetate 84.44
    1,2,4-trichlorobenzene 112.16
    4-methylpyridine 122.78
    dibutyl ether 34.93
    2,6-dimethyl-4-heptanol 25.09
    DEF 77.11
    dimethyl isosorbide 121.07
    tetrachloroethylene 91.19
    eugenol 73.7
    triacetin 79.95
    span 80 60.95
    1,4-butanediol 7.97
    1,1-dichloroethane 78.94
    2-methyl-1-pentanol 46.48
    methyl formate 9.08
    2-methyl-1-butanol 52.6
    n-decane 3.46
    butyronitrile 36.47
    3,7-dimethyl-1-octanol 28.7
    1-chlorooctane 18.98
    1-chlorotetradecane 6.01
    n-nonane 2.81
    undecane 2.06
    tert-butylcyclohexane 7.38
    cyclooctane 7.65
    cyclopentanol 39.1
    tetrahydropyran 162.27
    tert-amyl methyl ether 44.68
    2,5,8-trioxanonane 94.18
    1-hexene 30.06
    2-isopropoxyethanol 45.95
    2,2,2-trifluoroethanol 10.37
    methyl butyrate 57.64

    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