Oleacein

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  • Identifiers

    CAS number
    149183-75-5

    Molecular formula
    C17H20O6

    SMILES
    C/C=C(\C=O)/C(CC=O)CC(=O)OCCC1=CC(=C(C=C1)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 48.62%
    Roasted 30.24%
    Savory 27.8%
    Milky 25.26%
    Meaty 23.23%
    Cooked 21.14%
    Caramellic 20.99%
    Vanilla 19.93%
    Burnt 19.38%
    Sweet 18.52%

     

    Flavor
    Bitter 39.04%
    Fruity 30.22%
    Odorless 28.29%
    Mild 20.54%
    Ethyl benzoate 19.74%
    Orange flower 19.42%
    Heather 19.21%
    Broom 19.11%
    Genet 18.9%
    Nitrile 18.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    8.33 (weak base)

    Molecular weight
    320.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    547°C

    Flash point

    • 227.65 ˚C est.

  • Synonyms

    • Oleacein
    • 2-(3,4-dihydroxyphenyl)ethyl (Z)-4-formyl-3-(2-oxoethyl)hex-4-enoate
    • 149183-75-5
    • 2-(3,4-dihydroxyphenyl)ethyl (4Z)-4-formyl-3-(2-oxoethyl)hex-4-enoate
    • DTXSID201318717
    • RefChem:168064
    • GlyTouCan:G64679XG
    • DTXCID901748517
    • G64679XG
    • 3,4-DHPEA-EDA
    • SCHEMBL22068052
    • CHEBI:175090
    • DTXSID501341882
    • 2-(3,4-Dihydroxyphenyl)ethyl 4-formyl-3-formylmethyl-4-hexenoate
    • 2-(3,4-dihydroxyphenyl)ethyl (Z)-4-ormyl-3-(2-oxoethyl)hex-4-enoate
    • 149183-75-5

  • Applications

    Oleacein (CAS 149183-75-5) is a natural polyphenolic aldehyde present in olive oil; it is primarily of interest for its antioxidant properties and its contribution to olive oil aroma. Potential applications include cosmetics/personal care as an antioxidant ingredient or fragrance precursor; in nutraceuticals/dietary supplements as a polyphenol constituent; in food processing as a flavor/aroma component for olive-based products; and in chemical research as a synthetic intermediate for related phenolic compounds. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 24.15
    methanol 84.08
    isopropanol 15.79
    water 0.25
    ethyl acetate 17.53
    n-propanol 24.43
    acetone 58.5
    n-butanol 15.83
    acetonitrile 13.18
    DMF 231.83
    toluene 3.5
    isobutanol 9.65
    1,4-dioxane 63.67
    methyl acetate 22.8
    THF 203.96
    2-butanone 37.69
    n-pentanol 10.83
    sec-butanol 15.22
    n-hexane 0.2
    ethylene glycol 20.75
    NMP 152.91
    cyclohexane 0.29
    DMSO 736.54
    n-butyl acetate 4.36
    n-octanol 3.39
    chloroform 8.74
    n-propyl acetate 6.7
    acetic acid 60.83
    dichloromethane 15.59
    cyclohexanone 49.4
    propylene glycol 29.97
    isopropyl acetate 8.51
    DMAc 329.77
    2-ethoxyethanol 73.1
    isopentanol 9.63
    n-heptane 0.26
    ethyl formate 12.27
    1,2-dichloroethane 15.13
    n-hexanol 5.3
    2-methoxyethanol 156.97
    isobutyl acetate 3.35
    tetrachloromethane 0.89
    n-pentyl acetate 4.22
    transcutol 143.46
    n-heptanol 4.31
    ethylbenzene 1.97
    MIBK 10.45
    2-propoxyethanol 45.09
    tert-butanol 21.43
    MTBE 7.82
    2-butoxyethanol 18.05
    propionic acid 27.96
    o-xylene 3.25
    formic acid 74.83
    diethyl ether 9.58
    m-xylene 2.39
    p-xylene 2.34
    chlorobenzene 3.64
    dimethyl carbonate 28.51
    n-octane 0.19
    formamide 151.94
    cyclopentanone 99.99
    2-pentanone 23.63
    anisole 13.15
    cyclopentyl methyl ether 22.89
    gamma-butyrolactone 111.17
    1-methoxy-2-propanol 90.99
    pyridine 29.71
    3-pentanone 20.76
    furfural 62.27
    n-dodecane 0.19
    diethylene glycol 63.23
    diisopropyl ether 1.64
    tert-amyl alcohol 15.91
    acetylacetone 43.46
    n-hexadecane 0.22
    acetophenone 16.27
    methyl propionate 29.25
    isopentyl acetate 4.88
    trichloroethylene 27.37
    n-nonanol 3.84
    cyclohexanol 13.86
    benzyl alcohol 15.52
    2-ethylhexanol 2.89
    isooctanol 3.53
    dipropyl ether 5.39
    1,2-dichlorobenzene 4.78
    ethyl lactate 13.74
    propylene carbonate 22.68
    n-methylformamide 92.75
    2-pentanol 7.47
    n-pentane 0.15
    1-propoxy-2-propanol 23.3
    1-methoxy-2-propyl acetate 17.36
    2-(2-methoxypropoxy) propanol 29.22
    mesitylene 1.54
    ε-caprolactone 35.0
    p-cymene 1.4
    epichlorohydrin 100.6
    1,1,1-trichloroethane 4.36
    2-aminoethanol 39.5
    morpholine-4-carbaldehyde 124.76
    sulfolane 205.39
    2,2,4-trimethylpentane 0.19
    2-methyltetrahydrofuran 37.39
    n-hexyl acetate 6.21
    isooctane 0.11
    2-(2-butoxyethoxy)ethanol 35.74
    sec-butyl acetate 4.6
    tert-butyl acetate 11.51
    decalin 0.29
    glycerin 69.19
    diglyme 72.59
    acrylic acid 34.68
    isopropyl myristate 3.27
    n-butyric acid 21.04
    acetyl acetate 13.14
    di(2-ethylhexyl) phthalate 5.79
    ethyl propionate 9.41
    nitromethane 149.68
    1,2-diethoxyethane 19.36
    benzonitrile 8.56
    trioctyl phosphate 3.48
    1-bromopropane 3.76
    gamma-valerolactone 126.96
    n-decanol 2.96
    triethyl phosphate 6.96
    4-methyl-2-pentanol 3.82
    propionitrile 12.96
    vinylene carbonate 22.07
    1,1,2-trichlorotrifluoroethane 64.38
    DMS 13.71
    cumene 1.37
    2-octanol 2.38
    2-hexanone 10.57
    octyl acetate 4.28
    limonene 2.12
    1,2-dimethoxyethane 87.54
    ethyl orthosilicate 6.2
    tributyl phosphate 4.6
    diacetone alcohol 30.79
    N,N-dimethylaniline 9.5
    acrylonitrile 23.56
    aniline 13.04
    1,3-propanediol 47.63
    bromobenzene 2.74
    dibromomethane 5.93
    1,1,2,2-tetrachloroethane 22.35
    2-methyl-cyclohexyl acetate 7.12
    tetrabutyl urea 8.25
    diisobutyl methanol 2.38
    2-phenylethanol 9.28
    styrene 2.49
    dioctyl adipate 7.81
    dimethyl sulfate 69.76
    ethyl butyrate 6.41
    methyl lactate 35.91
    butyl lactate 8.56
    diethyl carbonate 5.6
    propanediol butyl ether 18.71
    triethyl orthoformate 7.8
    p-tert-butyltoluene 1.38
    methyl 4-tert-butylbenzoate 16.41
    morpholine 88.17
    tert-butylamine 4.73
    n-dodecanol 2.24
    dimethoxymethane 134.33
    ethylene carbonate 16.52
    cyrene 40.93
    2-ethoxyethyl acetate 12.3
    2-ethylhexyl acetate 3.42
    1,2,4-trichlorobenzene 7.82
    4-methylpyridine 19.45
    dibutyl ether 4.56
    2,6-dimethyl-4-heptanol 2.38
    DEF 44.27
    dimethyl isosorbide 47.91
    tetrachloroethylene 12.18
    eugenol 18.89
    triacetin 17.38
    span 80 17.46
    1,4-butanediol 19.98
    1,1-dichloroethane 5.27
    2-methyl-1-pentanol 8.03
    methyl formate 58.08
    2-methyl-1-butanol 10.42
    n-decane 0.33
    butyronitrile 8.64
    3,7-dimethyl-1-octanol 3.42
    1-chlorooctane 1.47
    1-chlorotetradecane 0.66
    n-nonane 0.27
    undecane 0.25
    tert-butylcyclohexane 0.22
    cyclooctane 0.16
    cyclopentanol 22.22
    tetrahydropyran 26.6
    tert-amyl methyl ether 8.91
    2,5,8-trioxanonane 59.06
    1-hexene 1.06
    2-isopropoxyethanol 31.01
    2,2,2-trifluoroethanol 23.35
    methyl butyrate 11.97

    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