Oleuropein aglycon

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  • Identifiers

    CAS number
    31773-95-2

    Molecular formula
    C19H22O8

    SMILES
    C/C=C/1\[C@@H](C(=CO[C@H]1O)C(=O)OC)CC(=O)OCCC2=CC(=C(C=C2)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 57.88%
    Vanilla 27.55%
    Sweet 26.06%
    Spicy 22.96%
    Balsamic 22.65%
    Milky 21.38%
    Creamy 18.5%
    Phenolic 18.18%
    Aromatic 17.54%
    Roasted 16.99%

     

    Flavor
    Bitter 77.13%
    Odorless 31.02%
    Bland 26.97%
    Sweet-like 20.91%
    Parsley 20.3%
    Ethyl benzoate 19.96%
    Lovage 19.8%
    Very mild 19.56%
    Heather 19.52%
    Cedarleaf 19.45%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.46 (neutral)

    Molecular weight
    378.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    652°C

    Flash point

    • 231.48 ˚C est.

  • Synonyms

    • Oleuropein aglycone
    • 31773-95-2
    • Oleuropein aglycon
    • CHEBI:139162
    • DTXSID70953711
    • methyl (2R,3E,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-hydroxy-3,4-dihydro-2H-pyran-5-carboxylate
    • methyl (4s,5e,6r)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-hydroxy-4h-pyran-3-carboxylate
    • JVQ6P3R5XV
    • methyl (2R,3E,4S)-4-(2-(2-(3,4-dihydroxyphenyl)ethoxy)-2-oxoethyl)-3-ethylidene-2-hydroxy-3,4-dihydro-2H-pyran-5-carboxylate
    • methyl (4S,5E,6R)-4-(2-(2-(3,4-dihydroxyphenyl)ethoxy)-2-oxoethyl)-5-ethylidene-6-hydroxy-4H-pyran-3-carboxylate
    • RefChem:928166
    • DTXCID801770913
    • Oleuropeinaglycon
    • Oleuropeine aglycone
    • Oleoeuropein aglycone
    • 2H-PYRAN-4-ACETIC ACID,3-ETHYLIDENE-3,4-DIHYDRO-2-HYDROXY-5-(METHOXYCARBONYL)-,2-(3,4-DIHYDROXYPHENYL)ETHYL ESTER, (2R,3E,4S)-
    • Oleuropein aglycone - 80%
    • 2H-Pyran-4-acetic acid, 3-ethylidene-3,4-dihydro-2-hydroxy-5-(methoxycarbonyl)-, 2-(3,4-dihydroxyphenyl) ethyl ester, (2R-(2alpha,3E,4beta))-
    • Methyl (2R,4S,E)-4-(2-(3,4-dihydroxyphenethoxy)-2-oxoethyl)-3-ethylidene-2-hydroxy-3,4-dihydro-2H-pyran-5-carboxylate
    • Oleuropein-aglycone
    • Oleuropein_aglycone
    • CHEMBL4471855
    • SCHEMBL12642033
    • SCHEMBL29454793
    • BO300163
    • XO180873
    • HY-135115
    • CS-0109412
    • H61308
    • (2R,3E,4S)-3-Ethylidene-3,4-dihydro-2-hydroxy-5-(methoxycarbonyl)-2H-pyran-4-acetic acid
    • methyl (4S,5E,6R)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxo-ethyl]-5-ethylidene-6-hydroxy-4H-pyran-3-carboxylate
    • 31773-95-2

  • Applications

    Oleuropein aglycon (CAS 31773-95-2) is commonly used as an intermediate in the synthesis of secoiridoid derivatives and related olive-derived phenolics. In industrial contexts it is evaluated as an antioxidant and stabilizer additive for cosmetics and personal care formulations, as well as for coatings and polymer systems to improve oxidative stability. It may also function as a fragrance/odorant precursor or aroma component in perfumery and odor research, leveraging olive-origin notes. Additionally, it is investigated as a starting material for pharmaceutical or nutraceutical exploration of olive-derived bioactive frameworks, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.72
    methanol 33.42
    isopropanol 2.91
    water 0.23
    ethyl acetate 6.69
    n-propanol 6.65
    acetone 10.13
    n-butanol 4.28
    acetonitrile 3.52
    DMF 216.48
    toluene 0.92
    isobutanol 2.59
    1,4-dioxane 19.95
    methyl acetate 8.11
    THF 44.81
    2-butanone 9.46
    n-pentanol 2.23
    sec-butanol 3.27
    n-hexane 0.06
    ethylene glycol 13.55
    NMP 209.0
    cyclohexane 0.09
    DMSO 280.04
    n-butyl acetate 1.22
    n-octanol 1.28
    chloroform 2.91
    n-propyl acetate 2.09
    acetic acid 41.16
    dichloromethane 5.6
    cyclohexanone 16.9
    propylene glycol 17.73
    isopropyl acetate 2.69
    DMAc 238.72
    2-ethoxyethanol 33.77
    isopentanol 2.51
    n-heptane 0.08
    ethyl formate 5.84
    1,2-dichloroethane 4.48
    n-hexanol 1.09
    2-methoxyethanol 106.03
    isobutyl acetate 0.74
    tetrachloromethane 0.35
    n-pentyl acetate 1.85
    transcutol 48.47
    n-heptanol 1.74
    ethylbenzene 0.41
    MIBK 2.54
    2-propoxyethanol 20.22
    tert-butanol 3.29
    MTBE 1.44
    2-butoxyethanol 9.75
    propionic acid 15.12
    o-xylene 0.88
    formic acid 85.1
    diethyl ether 2.47
    m-xylene 0.68
    p-xylene 0.51
    chlorobenzene 0.92
    dimethyl carbonate 24.77
    n-octane 0.05
    formamide 139.97
    cyclopentanone 39.12
    2-pentanone 6.34
    anisole 3.57
    cyclopentyl methyl ether 7.42
    gamma-butyrolactone 63.02
    1-methoxy-2-propanol 54.06
    pyridine 12.29
    3-pentanone 6.67
    furfural 42.7
    n-dodecane 0.04
    diethylene glycol 32.1
    diisopropyl ether 0.42
    tert-amyl alcohol 3.34
    acetylacetone 14.44
    n-hexadecane 0.05
    acetophenone 5.67
    methyl propionate 17.75
    isopentyl acetate 1.25
    trichloroethylene 11.23
    n-nonanol 1.42
    cyclohexanol 3.57
    benzyl alcohol 5.27
    2-ethylhexanol 0.69
    isooctanol 1.21
    dipropyl ether 1.58
    1,2-dichlorobenzene 1.44
    ethyl lactate 6.67
    propylene carbonate 11.67
    n-methylformamide 83.16
    2-pentanol 1.78
    n-pentane 0.06
    1-propoxy-2-propanol 9.71
    1-methoxy-2-propyl acetate 7.1
    2-(2-methoxypropoxy) propanol 12.67
    mesitylene 0.41
    ε-caprolactone 18.07
    p-cymene 0.33
    epichlorohydrin 46.91
    1,1,1-trichloroethane 1.01
    2-aminoethanol 23.96
    morpholine-4-carbaldehyde 122.51
    sulfolane 133.29
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 8.86
    n-hexyl acetate 2.65
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 15.46
    sec-butyl acetate 1.23
    tert-butyl acetate 3.04
    decalin 0.06
    glycerin 61.48
    diglyme 34.78
    acrylic acid 25.3
    isopropyl myristate 0.92
    n-butyric acid 11.19
    acetyl acetate 5.25
    di(2-ethylhexyl) phthalate 2.21
    ethyl propionate 4.04
    nitromethane 97.59
    1,2-diethoxyethane 5.15
    benzonitrile 2.38
    trioctyl phosphate 1.36
    1-bromopropane 0.89
    gamma-valerolactone 88.21
    n-decanol 0.93
    triethyl phosphate 2.66
    4-methyl-2-pentanol 0.91
    propionitrile 3.22
    vinylene carbonate 14.05
    1,1,2-trichlorotrifluoroethane 55.8
    DMS 5.94
    cumene 0.32
    2-octanol 0.84
    2-hexanone 2.6
    octyl acetate 1.55
    limonene 0.51
    1,2-dimethoxyethane 33.6
    ethyl orthosilicate 2.24
    tributyl phosphate 1.53
    diacetone alcohol 11.72
    N,N-dimethylaniline 3.08
    acrylonitrile 9.04
    aniline 4.23
    1,3-propanediol 25.86
    bromobenzene 0.7
    dibromomethane 1.9
    1,1,2,2-tetrachloroethane 7.81
    2-methyl-cyclohexyl acetate 2.01
    tetrabutyl urea 3.13
    diisobutyl methanol 0.52
    2-phenylethanol 2.85
    styrene 0.5
    dioctyl adipate 2.67
    dimethyl sulfate 61.02
    ethyl butyrate 2.15
    methyl lactate 30.8
    butyl lactate 4.01
    diethyl carbonate 1.88
    propanediol butyl ether 10.1
    triethyl orthoformate 2.78
    p-tert-butyltoluene 0.33
    methyl 4-tert-butylbenzoate 7.61
    morpholine 35.31
    tert-butylamine 0.75
    n-dodecanol 0.61
    dimethoxymethane 88.89
    ethylene carbonate 9.16
    cyrene 24.22
    2-ethoxyethyl acetate 5.73
    2-ethylhexyl acetate 0.94
    1,2,4-trichlorobenzene 2.61
    4-methylpyridine 7.24
    dibutyl ether 1.11
    2,6-dimethyl-4-heptanol 0.52
    DEF 27.88
    dimethyl isosorbide 21.86
    tetrachloroethylene 5.4
    eugenol 8.82
    triacetin 7.9
    span 80 7.95
    1,4-butanediol 7.69
    1,1-dichloroethane 1.14
    2-methyl-1-pentanol 1.77
    methyl formate 46.71
    2-methyl-1-butanol 2.98
    n-decane 0.08
    butyronitrile 1.85
    3,7-dimethyl-1-octanol 0.97
    1-chlorooctane 0.38
    1-chlorotetradecane 0.14
    n-nonane 0.07
    undecane 0.05
    tert-butylcyclohexane 0.05
    cyclooctane 0.06
    cyclopentanol 6.69
    tetrahydropyran 4.99
    tert-amyl methyl ether 2.23
    2,5,8-trioxanonane 25.4
    1-hexene 0.21
    2-isopropoxyethanol 10.99
    2,2,2-trifluoroethanol 19.73
    methyl butyrate 4.7

    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