4-Oxo-beta-ionol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    80945-23-9

    Molecular formula
    C13H20O2

    SMILES
    CC1=C(C(CCC1=O)(C)C)/C=C/C(C)O

  • Odor profile

    Woody 70.28%
    Floral 56.84%
    Fruity 53.91%
    Berry 44.21%
    Sweet 38.11%
    Dry 37.38%
    Powdery 37.37%
    Raspberry 36.58%
    Orris 34.63%
    Tobacco 34.01%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    Molecular weight
    208.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    324°C

    Flash point est.
    137.19 ˚C

  • Synonyms

    • 4-Oxo-beta-ionol
    • SCHEMBL9199028
    • LWWWERIIOIAWQK-AATRIKPKSA-N

  • Applications

    4-Oxo-beta-ionol (CAS 80945-23-9) is a C13 norisoprenoid arising from carotenoid degradation and is valued both as an aroma-active compound and a metabolic marker; in flavor and fragrance analytics it is commonly employed as a reference standard for GC-MS/GC-O to quantify and profile aromas in wine, tea, fruits, hops, malt, and tobacco, and as an indicator of processing, storage, and aging via monitoring oxidative or glycosidic release pathways; in formulation R&D it can serve as a specialty ingredient or impact odorant contributing violet-like floral, ripe-fruity, and light woody nuances, often liberated from glycosidic precursors during fermentation, drying, or enzymatic treatments; in synthetic chemistry it functions as a versatile building block to access megastigmane and ionone derivatives, tune polarity, prepare glycosides, and assemble norisoprenoid libraries for structure–activity exploration; in plant and biological studies it is used as a model metabolite to probe carotenoid-derived signaling, stress and defense responses, and interactions with microbes or neighboring plants, and it is screened for bioactivity in research assays; additionally it supports quality control and authenticity by enabling chemical fingerprinting of raw materials, with any direct use in consumer products subject to safety assessment and regulatory compliance.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 206.22
    methanol 303.89
    isopropanol 160.28
    water 0.97
    ethyl acetate 129.82
    n-propanol 175.46
    acetone 154.23
    n-butanol 164.97
    acetonitrile 136.1
    DMF 324.52
    toluene 125.77
    isobutanol 112.29
    1,4-dioxane 374.03
    methyl acetate 144.4
    THF 450.2
    2-butanone 152.61
    n-pentanol 94.04
    sec-butanol 117.46
    n-hexane 6.65
    ethylene glycol 38.55
    NMP 246.37
    cyclohexane 15.61
    DMSO 183.74
    n-butyl acetate 115.97
    n-octanol 63.21
    chloroform 372.96
    n-propyl acetate 76.47
    acetic acid 95.89
    dichloromethane 301.45
    cyclohexanone 207.89
    propylene glycol 64.6
    isopropyl acetate 81.75
    DMAc 240.09
    2-ethoxyethanol 121.01
    isopentanol 129.69
    n-heptane 5.68
    ethyl formate 95.05
    1,2-dichloroethane 150.79
    n-hexanol 147.21
    2-methoxyethanol 241.89
    isobutyl acetate 59.91
    tetrachloromethane 53.4
    n-pentyl acetate 70.21
    transcutol 387.55
    n-heptanol 66.11
    ethylbenzene 61.26
    MIBK 81.77
    2-propoxyethanol 210.78
    tert-butanol 192.51
    MTBE 115.78
    2-butoxyethanol 110.86
    propionic acid 91.63
    o-xylene 73.97
    formic acid 53.53
    diethyl ether 116.33
    m-xylene 88.71
    p-xylene 78.29
    chlorobenzene 121.7
    dimethyl carbonate 57.07
    n-octane 3.31
    formamide 81.95
    cyclopentanone 268.2
    2-pentanone 120.42
    anisole 125.92
    cyclopentyl methyl ether 143.96
    gamma-butyrolactone 266.69
    1-methoxy-2-propanol 199.01
    pyridine 203.16
    3-pentanone 89.81
    furfural 220.08
    n-dodecane 3.33
    diethylene glycol 152.45
    diisopropyl ether 32.93
    tert-amyl alcohol 126.3
    acetylacetone 125.56
    n-hexadecane 3.85
    acetophenone 106.8
    methyl propionate 111.35
    isopentyl acetate 108.35
    trichloroethylene 294.92
    n-nonanol 54.71
    cyclohexanol 110.94
    benzyl alcohol 103.17
    2-ethylhexanol 75.18
    isooctanol 50.35
    dipropyl ether 60.2
    1,2-dichlorobenzene 109.05
    ethyl lactate 52.92
    propylene carbonate 151.24
    n-methylformamide 133.71
    2-pentanol 83.99
    n-pentane 7.42
    1-propoxy-2-propanol 135.43
    1-methoxy-2-propyl acetate 127.67
    2-(2-methoxypropoxy) propanol 108.91
    mesitylene 49.22
    ε-caprolactone 181.53
    p-cymene 40.91
    epichlorohydrin 276.77
    1,1,1-trichloroethane 156.28
    2-aminoethanol 90.62
    morpholine-4-carbaldehyde 278.45
    sulfolane 233.99
    2,2,4-trimethylpentane 7.12
    2-methyltetrahydrofuran 251.44
    n-hexyl acetate 104.52
    isooctane 6.01
    2-(2-butoxyethoxy)ethanol 142.46
    sec-butyl acetate 62.41
    tert-butyl acetate 94.06
    decalin 10.89
    glycerin 85.47
    diglyme 232.77
    acrylic acid 77.21
    isopropyl myristate 40.19
    n-butyric acid 126.76
    acetyl acetate 81.95
    di(2-ethylhexyl) phthalate 53.2
    ethyl propionate 71.96
    nitromethane 149.81
    1,2-diethoxyethane 115.69
    benzonitrile 120.38
    trioctyl phosphate 38.11
    1-bromopropane 104.34
    gamma-valerolactone 300.42
    n-decanol 39.73
    triethyl phosphate 48.37
    4-methyl-2-pentanol 58.24
    propionitrile 133.71
    vinylene carbonate 149.17
    1,1,2-trichlorotrifluoroethane 162.75
    DMS 89.75
    cumene 43.28
    2-octanol 42.45
    2-hexanone 83.36
    octyl acetate 53.51
    limonene 51.09
    1,2-dimethoxyethane 210.3
    ethyl orthosilicate 48.08
    tributyl phosphate 42.45
    diacetone alcohol 122.72
    N,N-dimethylaniline 85.68
    acrylonitrile 136.12
    aniline 136.62
    1,3-propanediol 129.12
    bromobenzene 118.77
    dibromomethane 197.34
    1,1,2,2-tetrachloroethane 241.71
    2-methyl-cyclohexyl acetate 80.82
    tetrabutyl urea 54.77
    diisobutyl methanol 41.34
    2-phenylethanol 122.45
    styrene 70.64
    dioctyl adipate 59.94
    dimethyl sulfate 83.24
    ethyl butyrate 78.16
    methyl lactate 68.46
    butyl lactate 68.13
    diethyl carbonate 59.0
    propanediol butyl ether 108.37
    triethyl orthoformate 60.6
    p-tert-butyltoluene 40.8
    methyl 4-tert-butylbenzoate 94.24
    morpholine 383.69
    tert-butylamine 113.21
    n-dodecanol 29.45
    dimethoxymethane 184.29
    ethylene carbonate 119.92
    cyrene 117.35
    2-ethoxyethyl acetate 104.41
    2-ethylhexyl acetate 86.21
    1,2,4-trichlorobenzene 132.07
    4-methylpyridine 222.3
    dibutyl ether 48.85
    2,6-dimethyl-4-heptanol 41.34
    DEF 124.58
    dimethyl isosorbide 181.8
    tetrachloroethylene 152.42
    eugenol 99.48
    triacetin 94.6
    span 80 92.63
    1,4-butanediol 46.99
    1,1-dichloroethane 169.87
    2-methyl-1-pentanol 87.61
    methyl formate 106.43
    2-methyl-1-butanol 110.55
    n-decane 5.81
    butyronitrile 144.83
    3,7-dimethyl-1-octanol 57.84
    1-chlorooctane 31.83
    1-chlorotetradecane 12.27
    n-nonane 5.0
    undecane 4.28
    tert-butylcyclohexane 10.77
    cyclooctane 5.18
    cyclopentanol 119.78
    tetrahydropyran 273.63
    tert-amyl methyl ether 79.68
    2,5,8-trioxanonane 162.18
    1-hexene 36.95
    2-isopropoxyethanol 91.17
    2,2,2-trifluoroethanol 40.97
    methyl butyrate 92.58

    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

Botanical

Name CAS Botanical Proportion
Freesia, Living Flower Headspace Freesia refracta L. 2.2%
Osmanthus absolute 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.3%
Osmanthus concrete 1 (China) 68917-05-5 Osmanthus fragrans, variety Thunbergii (Mak.), fam. Oleaceae 0.95%
Osmanthus concrete 2 (China) 68917-05-5 Osmanthus fragrans, variety Latifolius Mak., fam. Oleaceae 0.5%
Osmanthus concrete 3 (China) 68917-05-5 Osmanthus fragrans, variety Aurantiacus (Mak.), fam. Oleaceae 1.0%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.15%