beta-Sitosteryl ferulate

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  • Identifiers

    CAS number
    286011-30-1

    Molecular formula
    C39H58O4

    SMILES
    CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)/C=C/C5=CC(=C(C=C5)O)OC)C)C)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 70.06%
    Balsamic 46.21%
    Sandalwood 42.91%
    Amber 41.06%
    Dry 33.64%
    Spicy 30.29%
    Vetiver 29.97%
    Powdery 29.74%
    Musk 27.43%
    Cedar 27.25%

     

    Flavor
    Woody 44.05%
    Herbal 36.59%
    Bitter 25.13%
    Wood 24.85%
    Spice 24.51%
    Balsam 22.38%
    Herb 21.66%
    Warm 21.22%
    Cedarleaf 20.24%
    Sandalwood 20.16%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    11.6

    pKa est.
    8.71 (weak base)

    Molecular weight
    590.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    711°C

    Melting point expt.

    • 131 °C

    Flash point

    • 270.13 ˚C est.

  • Synonyms

    • beta-Sitosteryl ferulate
    • beta-Sitosterol ferulate
    • trans-Sitosteryl ferulate
    • 286011-30-1
    • Ferulic acid beta-sitosterol ester
    • 4OLS68TN65
    • DTXSID50872335
    • Stigmast-5-en-3-ol, 3-((2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate), (3beta)-
    • RefChem:119508
    • DTXCID90819981
    • Sitosteryl ferulate
    • Feruloyl-beta-sitosterol
    • UNII-4OLS68TN65
    • 4952-28-7
    • Stigmast-5-en-3-ol, 3-(4-hydroxy-3-methoxyphenyl)-2-propenoate, (3beta)-
    • [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    • b-Sitosteryl Ferulate
    • Sitosterol ferulate
    • ((3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthren-3-yl) (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    • Ferulic Acid ss-Sitosterol Ester; Sitosteryl Ferulate; ss-Sitosterol Ferulate; 4-Hydroxy-3-methoxycinnamate Stigmast-5-en-3ss-ol; 4-Hydroxy-3-methoxycinnamate-ss-sitosterol;
    • Feruloyl-b-sitosterol
    • CHEMBL3799667
    • SCHEMBL29394559
    • CHEBI:176163
    • .BETA.-SITOSTEROL FERULATE
    • .BETA.-SITOSTERYL FERULATE
    • C39H58O4
    • STIGMAST-5-EN-3-OL, 3-((2E)-3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOATE), (3.BETA.)-
    • FERULIC ACID .BETA.-SITOSTEROL ESTER
    • beta-Sitosterol, 4-hydroxy-3-methoxycinnamate (7CI)
    • Q27260295
    • 3-(4-Hydroxy-3-methoxyphenyl)-2-propenoate(3beta)-Stigmast-5-en-3-ol
    • Stigmast-5-en-3beta-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    • STIGMAST-5-EN-3-OL, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOATE, (3.BETA.)-
    • (1S,2R,5S,10S,11S,14R,15R)-14-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
    • [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
    • trans-Sitosteryl ferulate; Stigmast-5-en-3-ol, 3-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate], (3|A)-; (3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate
    • 4952-28-7

  • Applications

    beta-Sitosteryl ferulate (CAS 286011-30-1) is the ferulic acid ester of beta-sitosterol. In cosmetic and personal care applications, it is considered a plant-derived emollient and antioxidant additive that can help stabilize formulations and improve skin feel; in industrial manufacturing, it is evaluated as a bio-based antioxidant and stabilizer for polymers and polymer blends to slow oxidative degradation; in coatings and printing inks, it can function as an antioxidant and light stabilizer to enhance shelf life and color retention; and in formulation development, it serves as an intermediate for the synthesis of ferulate esters and related lipid-based additives used in specialty formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4.24
    methanol 3.08
    isopropanol 3.01
    water 0.01
    ethyl acetate 3.68
    n-propanol 5.96
    acetone 5.98
    n-butanol 5.65
    acetonitrile 1.31
    DMF 7.43
    toluene 7.07
    isobutanol 3.72
    1,4-dioxane 12.34
    methyl acetate 3.51
    THF 25.53
    2-butanone 8.47
    n-pentanol 6.03
    sec-butanol 3.13
    n-hexane 0.42
    ethylene glycol 0.27
    NMP 13.61
    cyclohexane 0.62
    DMSO 6.47
    n-butyl acetate 5.42
    n-octanol 3.01
    chloroform 29.28
    n-propyl acetate 4.65
    acetic acid 4.8
    dichloromethane 18.36
    cyclohexanone 17.45
    propylene glycol 0.77
    isopropyl acetate 4.32
    DMAc 18.42
    2-ethoxyethanol 10.06
    isopentanol 4.41
    n-heptane 0.46
    ethyl formate 2.68
    1,2-dichloroethane 8.69
    n-hexanol 5.44
    2-methoxyethanol 9.03
    isobutyl acetate 4.76
    tetrachloromethane 4.1
    n-pentyl acetate 8.71
    transcutol 25.65
    n-heptanol 4.82
    ethylbenzene 3.48
    MIBK 6.1
    2-propoxyethanol 17.96
    tert-butanol 2.57
    MTBE 4.02
    2-butoxyethanol 13.74
    propionic acid 3.2
    o-xylene 3.79
    formic acid 1.32
    diethyl ether 4.88
    m-xylene 4.49
    p-xylene 3.89
    chlorobenzene 7.6
    dimethyl carbonate 2.9
    n-octane 0.19
    formamide 1.75
    cyclopentanone 15.14
    2-pentanone 6.84
    anisole 7.94
    cyclopentyl methyl ether 8.43
    gamma-butyrolactone 11.64
    1-methoxy-2-propanol 9.18
    pyridine 13.46
    3-pentanone 6.42
    furfural 10.23
    n-dodecane 0.12
    diethylene glycol 5.15
    diisopropyl ether 1.64
    tert-amyl alcohol 2.66
    acetylacetone 7.8
    n-hexadecane 0.15
    acetophenone 8.17
    methyl propionate 4.37
    isopentyl acetate 7.13
    trichloroethylene 21.38
    n-nonanol 3.82
    cyclohexanol 4.35
    benzyl alcohol 6.78
    2-ethylhexanol 3.38
    isooctanol 4.04
    dipropyl ether 4.84
    1,2-dichlorobenzene 7.3
    ethyl lactate 3.14
    propylene carbonate 5.25
    n-methylformamide 3.28
    2-pentanol 2.79
    n-pentane 0.38
    1-propoxy-2-propanol 11.58
    1-methoxy-2-propyl acetate 10.37
    2-(2-methoxypropoxy) propanol 10.76
    mesitylene 2.39
    ε-caprolactone 14.1
    p-cymene 2.39
    epichlorohydrin 16.65
    1,1,1-trichloroethane 7.99
    2-aminoethanol 1.46
    morpholine-4-carbaldehyde 15.27
    sulfolane 14.98
    2,2,4-trimethylpentane 0.29
    2-methyltetrahydrofuran 9.02
    n-hexyl acetate 8.4
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 13.74
    sec-butyl acetate 3.98
    tert-butyl acetate 6.23
    decalin 0.5
    glycerin 1.53
    diglyme 23.36
    acrylic acid 2.77
    isopropyl myristate 3.09
    n-butyric acid 6.65
    acetyl acetate 3.82
    di(2-ethylhexyl) phthalate 4.88
    ethyl propionate 3.86
    nitromethane 5.41
    1,2-diethoxyethane 9.08
    benzonitrile 4.52
    trioctyl phosphate 3.11
    1-bromopropane 5.7
    gamma-valerolactone 27.11
    n-decanol 2.28
    triethyl phosphate 3.49
    4-methyl-2-pentanol 2.29
    propionitrile 2.67
    vinylene carbonate 6.45
    1,1,2-trichlorotrifluoroethane 13.07
    DMS 5.38
    cumene 2.53
    2-octanol 2.45
    2-hexanone 7.49
    octyl acetate 4.15
    limonene 2.71
    1,2-dimethoxyethane 14.94
    ethyl orthosilicate 4.39
    tributyl phosphate 3.15
    diacetone alcohol 7.17
    N,N-dimethylaniline 5.83
    acrylonitrile 2.74
    aniline 6.12
    1,3-propanediol 3.78
    bromobenzene 8.36
    dibromomethane 12.48
    1,1,2,2-tetrachloroethane 17.75
    2-methyl-cyclohexyl acetate 7.36
    tetrabutyl urea 4.81
    diisobutyl methanol 2.01
    2-phenylethanol 8.52
    styrene 3.54
    dioctyl adipate 5.82
    dimethyl sulfate 5.15
    ethyl butyrate 5.1
    methyl lactate 3.12
    butyl lactate 7.3
    diethyl carbonate 3.08
    propanediol butyl ether 7.09
    triethyl orthoformate 6.13
    p-tert-butyltoluene 2.32
    methyl 4-tert-butylbenzoate 10.72
    morpholine 15.55
    tert-butylamine 1.4
    n-dodecanol 1.37
    dimethoxymethane 10.77
    ethylene carbonate 5.35
    cyrene 10.69
    2-ethoxyethyl acetate 13.17
    2-ethylhexyl acetate 6.09
    1,2,4-trichlorobenzene 9.81
    4-methylpyridine 10.51
    dibutyl ether 3.06
    2,6-dimethyl-4-heptanol 2.01
    DEF 7.4
    dimethyl isosorbide 15.99
    tetrachloroethylene 12.92
    eugenol 10.98
    triacetin 9.57
    span 80 9.17
    1,4-butanediol 1.71
    1,1-dichloroethane 7.19
    2-methyl-1-pentanol 5.01
    methyl formate 2.23
    2-methyl-1-butanol 4.29
    n-decane 0.31
    butyronitrile 3.06
    3,7-dimethyl-1-octanol 2.89
    1-chlorooctane 1.61
    1-chlorotetradecane 0.5
    n-nonane 0.24
    undecane 0.18
    tert-butylcyclohexane 0.41
    cyclooctane 0.3
    cyclopentanol 3.64
    tetrahydropyran 11.64
    tert-amyl methyl ether 3.51
    2,5,8-trioxanonane 14.45
    1-hexene 1.72
    2-isopropoxyethanol 7.69
    2,2,2-trifluoroethanol 2.1
    methyl butyrate 5.08

    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