Elenolic acid

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  • Identifiers

    CAS number
    34422-12-3

    Molecular formula
    C11H14O6

    SMILES
    C[C@H]1[C@H]([C@@H](C(=CO1)C(=O)OC)CC(=O)O)C=O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 49.24%
    Caramellic 34.89%
    Roasted 33.63%
    Nutty 26.91%
    Burnt 26.03%
    Fruity 25.74%
    Buttery 22.0%
    Cooked 19.41%
    Milky 17.72%
    Sweet 17.53%

     

    Flavor
    Fruity 32.78%
    Odorless 30.24%
    Bitter 29.45%
    Very mild 24.49%
    Cotton candy 20.0%
    Seedy 19.75%
    Extremely sweet 19.62%
    Toffee 19.32%
    Fenugreek 19.1%
    Molasses 19.09%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.4

    pKa est.
    5.71 (weak acid)

    Molecular weight
    242.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    389°C

    Flash point

    • 185.62 ˚C est.

  • Synonyms

    • Elenolic acid
    • 34422-12-3
    • ELENAIC ACID
    • 2-[(2S,3S,4S)-3-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl]acetic acid
    • 5C9M8PFI8E
    • DTXSID30188002
    • 3-Formyl-3,4-dihydro-5-(methoxycarbonyl)-2-methyl-2H-pyran-4-acetic acid
    • 2H-Pyran-4-acetic acid, 3-formyl-3,4-dihydro-5-(methoxycarbonyl)-2-methyl-, (2S,3S,4S)-
    • 2H-Pyran-4-acetic acid, 3-formyl-3,4-dihydro-5-(methoxycarbonyl)-2-methyl-, (2S-(2alpha,3alpha,4beta))-
    • 2-((2S,3S,4S)-3-formyl-5-methoxycarbonyl-2-methyl-3,4-dihydro-2H-pyran-4-yl)acetic acid
    • RefChem:136478
    • DTXCID20110493
    • 2-(3-formyl-5-(methoxycarbonyl)-2-methyl-3,4-dihydro-2H-pyran-4-yl)acetic acid
    • Elenolic Acid (>90%)
    • UNII-5C9M8PFI8E
    • Elenolic Acid (>90per cent)
    • SCHEMBL14235421
    • MFCD03427296
    • Glutaric acid, 3-(1-formylpropenyl)-2-(hydroxymethylene)-, 1-methyl ester
    • FF71925
    • Q2635498
    • [(2S,3S,4S)-3-Formyl-5-(methoxycarbonyl)-2-methyl-3,4-dihydro-2H-pyran-4-yl]acetic acid
    • (2S,3S,4S)-3-FORMYL-3,4-DIHYDRO-5-(METHOXYCARBONYL)-2-METHYL-2H-PYRAN-4-ACETIC ACID
    • 2H-PYRAN-4-ACETIC ACID, 3-FORMYL-3,4-DIHYDRO-5-(METHOXYCARBONYL)-2-METHYL-, (2S-(2.ALPHA.,3.ALPHA.,4.BETA.))-
    • 34422-12-3

  • Applications

    Elenolic acid (CAS 34422-12-3) is primarily employed as a synthetic building block and intermediate in the preparation of oleuropein-related secoiridoids and other olive-derived polyphenols, and is used in R&D to access derivatives with potential pharmaceutical or agrochemical activity. It also serves as a starting material in natural product synthesis and analytical workflows for olive polyphenols. It may be evaluated for cosmetic or fragrance applications as a precursor to odor-active derivatives. It may be explored for antioxidant activity and inclusion in formulation development (subject to regulatory limits).

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.93
    methanol 74.81
    isopropanol 3.92
    water 12.02
    ethyl acetate 12.49
    n-propanol 6.91
    acetone 23.89
    n-butanol 4.41
    acetonitrile 12.48
    DMF 387.46
    toluene 2.67
    isobutanol 3.61
    1,4-dioxane 16.26
    methyl acetate 13.32
    THF 51.06
    2-butanone 12.06
    n-pentanol 2.99
    sec-butanol 3.03
    n-hexane 0.13
    ethylene glycol 32.88
    NMP 553.54
    cyclohexane 0.14
    DMSO 444.09
    n-butyl acetate 5.51
    n-octanol 1.63
    chloroform 5.29
    n-propyl acetate 7.17
    acetic acid 82.25
    dichloromethane 14.47
    cyclohexanone 33.24
    propylene glycol 23.3
    isopropyl acetate 6.36
    DMAc 321.12
    2-ethoxyethanol 37.82
    isopentanol 4.08
    n-heptane 0.13
    ethyl formate 18.13
    1,2-dichloroethane 10.96
    n-hexanol 2.5
    2-methoxyethanol 99.77
    isobutyl acetate 3.06
    tetrachloromethane 0.86
    n-pentyl acetate 3.22
    transcutol 77.43
    n-heptanol 1.99
    ethylbenzene 1.88
    MIBK 7.28
    2-propoxyethanol 31.54
    tert-butanol 5.1
    MTBE 1.73
    2-butoxyethanol 12.13
    propionic acid 32.56
    o-xylene 3.98
    formic acid 275.46
    diethyl ether 2.4
    m-xylene 3.59
    p-xylene 2.47
    chlorobenzene 3.88
    dimethyl carbonate 39.03
    n-octane 0.06
    formamide 363.18
    cyclopentanone 80.1
    2-pentanone 11.69
    anisole 9.32
    cyclopentyl methyl ether 13.75
    gamma-butyrolactone 174.61
    1-methoxy-2-propanol 52.99
    pyridine 21.13
    3-pentanone 9.97
    furfural 142.9
    n-dodecane 0.05
    diethylene glycol 57.01
    diisopropyl ether 0.79
    tert-amyl alcohol 4.35
    acetylacetone 33.59
    n-hexadecane 0.06
    acetophenone 21.29
    methyl propionate 28.99
    isopentyl acetate 5.11
    trichloroethylene 24.5
    n-nonanol 1.64
    cyclohexanol 5.15
    benzyl alcohol 14.91
    2-ethylhexanol 1.86
    isooctanol 1.74
    dipropyl ether 2.49
    1,2-dichlorobenzene 6.55
    ethyl lactate 18.51
    propylene carbonate 53.63
    n-methylformamide 189.44
    2-pentanol 2.04
    n-pentane 0.11
    1-propoxy-2-propanol 15.75
    1-methoxy-2-propyl acetate 19.04
    2-(2-methoxypropoxy) propanol 22.71
    mesitylene 2.15
    ε-caprolactone 43.9
    p-cymene 1.62
    epichlorohydrin 86.08
    1,1,1-trichloroethane 3.3
    2-aminoethanol 33.58
    morpholine-4-carbaldehyde 223.26
    sulfolane 298.29
    2,2,4-trimethylpentane 0.12
    2-methyltetrahydrofuran 14.66
    n-hexyl acetate 4.82
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 23.59
    sec-butyl acetate 4.07
    tert-butyl acetate 7.88
    decalin 0.22
    glycerin 92.41
    diglyme 48.09
    acrylic acid 62.2
    isopropyl myristate 1.72
    n-butyric acid 21.66
    acetyl acetate 12.72
    di(2-ethylhexyl) phthalate 5.66
    ethyl propionate 10.03
    nitromethane 209.07
    1,2-diethoxyethane 5.71
    benzonitrile 10.9
    trioctyl phosphate 3.22
    1-bromopropane 1.89
    gamma-valerolactone 152.7
    n-decanol 1.13
    triethyl phosphate 7.59
    4-methyl-2-pentanol 1.75
    propionitrile 7.09
    vinylene carbonate 56.71
    1,1,2-trichlorotrifluoroethane 94.56
    DMS 15.97
    cumene 1.63
    2-octanol 0.96
    2-hexanone 6.16
    octyl acetate 2.63
    limonene 1.97
    1,2-dimethoxyethane 38.4
    ethyl orthosilicate 5.27
    tributyl phosphate 4.11
    diacetone alcohol 24.44
    N,N-dimethylaniline 9.89
    acrylonitrile 24.01
    aniline 10.05
    1,3-propanediol 28.37
    bromobenzene 2.97
    dibromomethane 5.23
    1,1,2,2-tetrachloroethane 14.23
    2-methyl-cyclohexyl acetate 7.29
    tetrabutyl urea 7.68
    diisobutyl methanol 1.36
    2-phenylethanol 9.25
    styrene 1.95
    dioctyl adipate 5.28
    dimethyl sulfate 114.85
    ethyl butyrate 7.0
    methyl lactate 56.36
    butyl lactate 9.05
    diethyl carbonate 6.46
    propanediol butyl ether 16.71
    triethyl orthoformate 5.76
    p-tert-butyltoluene 1.4
    methyl 4-tert-butylbenzoate 17.35
    morpholine 30.63
    tert-butylamine 1.4
    n-dodecanol 0.76
    dimethoxymethane 83.53
    ethylene carbonate 33.26
    cyrene 57.77
    2-ethoxyethyl acetate 10.02
    2-ethylhexyl acetate 3.67
    1,2,4-trichlorobenzene 9.79
    4-methylpyridine 22.0
    dibutyl ether 1.24
    2,6-dimethyl-4-heptanol 1.36
    DEF 44.82
    dimethyl isosorbide 48.99
    tetrachloroethylene 10.58
    eugenol 18.85
    triacetin 16.78
    span 80 14.32
    1,4-butanediol 12.05
    1,1-dichloroethane 3.13
    2-methyl-1-pentanol 3.24
    methyl formate 138.71
    2-methyl-1-butanol 4.02
    n-decane 0.09
    butyronitrile 4.89
    3,7-dimethyl-1-octanol 1.77
    1-chlorooctane 0.51
    1-chlorotetradecane 0.22
    n-nonane 0.08
    undecane 0.07
    tert-butylcyclohexane 0.18
    cyclooctane 0.11
    cyclopentanol 9.09
    tetrahydropyran 5.18
    tert-amyl methyl ether 2.78
    2,5,8-trioxanonane 36.22
    1-hexene 0.55
    2-isopropoxyethanol 16.54
    2,2,2-trifluoroethanol 54.68
    methyl butyrate 14.17

    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