4-Hydroxy-beta-ionone

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  • Identifiers

    CAS number
    14398-34-6

    Molecular formula
    C13H20O2

    SMILES
    CC1=C(C(CCC1O)(C)C)/C=C/C(=O)C

  • Odor profile

    Woody 80.3%
    Floral 74.86%
    Sweet 60.61%
    Fruity 51.56%
    Powdery 49.26%
    Berry 47.66%
    Violet 46.65%
    Orris 43.79%
    Dry 42.93%
    Tobacco 40.9%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    208.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    322°C

    Flash point est.
    135.01 ˚C

  • Synonyms

    • 14398-34-6
    • (3E)-4-(3-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
    • (3E)-4-(3-HYDROXY-2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)BUT-3-EN-2-ONE
    • 4-Hydroxy-beta-ionone
    • 3-hydroxy-.beta.-ionone
    • SCHEMBL8011545
    • LICNQDPDQQOXCU-AATRIKPKSA-N
    • NS00113929
    • (E)-4-(3-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

  • Applications

    4-Hydroxy-β-ionone (CAS 14398-34-6) is a versatile fragrance ingredient and synthetic intermediate: at trace levels it delivers violet/orris, woody, tea and dried tobacco facets with ripe-fruity nuances, enabling use in fine fragrances, personal care (shampoos, shower gels, creams) and home care (detergents, softeners, air care, candles), where it serves as a modifier/booster and soft fixative for violet–rose accords, blending well with ionones, damascones, osmanthus, cedar, citrus and aldehydes; in flavor and tobacco applications it helps build black/oolong tea, tobacco, dried-fruit–honey–apricot/berry notes and lifts floral–fruity top notes at very low dosage; as a chemical building block it enables access to carotenoid/apocarotenoid derivatives (e.g., 4-oxo-β-ionone, abscisic-acid analogs, vitamin A–related intermediates) and other fine chemicals; in sensory and aroma research it is used as an odor standard to study carotenoid oxidation and tea/tobacco aroma formation; it is compatible with surfactant systems and suitable for encapsulation/controlled release, typically dosed at low levels and used in compliance with applicable IFRA/FEMA and labeling regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 237.08
    methanol 359.26
    isopropanol 162.05
    water 1.01
    ethyl acetate 156.04
    n-propanol 187.89
    acetone 162.18
    n-butanol 171.25
    acetonitrile 157.99
    DMF 330.64
    toluene 132.8
    isobutanol 109.05
    1,4-dioxane 420.86
    methyl acetate 161.21
    THF 524.7
    2-butanone 169.2
    n-pentanol 87.94
    sec-butanol 114.44
    n-hexane 7.67
    ethylene glycol 36.45
    NMP 242.06
    cyclohexane 17.54
    DMSO 182.03
    n-butyl acetate 122.33
    n-octanol 58.61
    chloroform 372.51
    n-propyl acetate 84.89
    acetic acid 101.08
    dichloromethane 302.27
    cyclohexanone 214.78
    propylene glycol 57.68
    isopropyl acetate 94.57
    DMAc 237.09
    2-ethoxyethanol 129.07
    isopentanol 126.64
    n-heptane 6.35
    ethyl formate 100.84
    1,2-dichloroethane 160.23
    n-hexanol 146.76
    2-methoxyethanol 269.0
    isobutyl acetate 61.35
    tetrachloromethane 54.61
    n-pentyl acetate 68.69
    transcutol 482.61
    n-heptanol 62.4
    ethylbenzene 61.86
    MIBK 85.6
    2-propoxyethanol 227.41
    tert-butanol 188.85
    MTBE 125.72
    2-butoxyethanol 112.62
    propionic acid 94.92
    o-xylene 72.92
    formic acid 63.11
    diethyl ether 147.0
    m-xylene 88.97
    p-xylene 74.35
    chlorobenzene 128.02
    dimethyl carbonate 63.92
    n-octane 3.16
    formamide 100.38
    cyclopentanone 282.86
    2-pentanone 133.12
    anisole 135.17
    cyclopentyl methyl ether 167.61
    gamma-butyrolactone 301.45
    1-methoxy-2-propanol 214.21
    pyridine 217.2
    3-pentanone 100.3
    furfural 233.2
    n-dodecane 2.96
    diethylene glycol 156.15
    diisopropyl ether 36.74
    tert-amyl alcohol 123.04
    acetylacetone 136.66
    n-hexadecane 3.42
    acetophenone 107.01
    methyl propionate 130.89
    isopentyl acetate 111.76
    trichloroethylene 303.65
    n-nonanol 51.23
    cyclohexanol 108.32
    benzyl alcohol 97.99
    2-ethylhexanol 72.28
    isooctanol 47.42
    dipropyl ether 68.65
    1,2-dichlorobenzene 111.35
    ethyl lactate 51.37
    propylene carbonate 154.83
    n-methylformamide 156.05
    2-pentanol 84.06
    n-pentane 8.7
    1-propoxy-2-propanol 139.64
    1-methoxy-2-propyl acetate 140.46
    2-(2-methoxypropoxy) propanol 110.8
    mesitylene 49.21
    ε-caprolactone 194.02
    p-cymene 39.09
    epichlorohydrin 314.1
    1,1,1-trichloroethane 159.53
    2-aminoethanol 91.69
    morpholine-4-carbaldehyde 301.1
    sulfolane 236.03
    2,2,4-trimethylpentane 7.08
    2-methyltetrahydrofuran 283.99
    n-hexyl acetate 104.09
    isooctane 6.13
    2-(2-butoxyethoxy)ethanol 150.17
    sec-butyl acetate 67.02
    tert-butyl acetate 102.57
    decalin 10.78
    glycerin 78.16
    diglyme 262.18
    acrylic acid 78.82
    isopropyl myristate 38.73
    n-butyric acid 129.14
    acetyl acetate 92.23
    di(2-ethylhexyl) phthalate 50.28
    ethyl propionate 81.28
    nitromethane 171.13
    1,2-diethoxyethane 135.09
    benzonitrile 118.5
    trioctyl phosphate 35.13
    1-bromopropane 109.17
    gamma-valerolactone 329.04
    n-decanol 36.39
    triethyl phosphate 50.05
    4-methyl-2-pentanol 57.38
    propionitrile 149.59
    vinylene carbonate 152.25
    1,1,2-trichlorotrifluoroethane 162.86
    DMS 93.97
    cumene 41.81
    2-octanol 37.3
    2-hexanone 85.36
    octyl acetate 50.67
    limonene 49.44
    1,2-dimethoxyethane 229.46
    ethyl orthosilicate 50.09
    tributyl phosphate 41.56
    diacetone alcohol 123.95
    N,N-dimethylaniline 87.29
    acrylonitrile 150.45
    aniline 140.19
    1,3-propanediol 134.91
    bromobenzene 123.87
    dibromomethane 199.36
    1,1,2,2-tetrachloroethane 243.51
    2-methyl-cyclohexyl acetate 81.46
    tetrabutyl urea 52.19
    diisobutyl methanol 41.0
    2-phenylethanol 121.55
    styrene 71.24
    dioctyl adipate 59.18
    dimethyl sulfate 89.02
    ethyl butyrate 82.29
    methyl lactate 68.27
    butyl lactate 64.25
    diethyl carbonate 63.17
    propanediol butyl ether 104.14
    triethyl orthoformate 64.39
    p-tert-butyltoluene 39.84
    methyl 4-tert-butylbenzoate 94.4
    morpholine 449.82
    tert-butylamine 113.89
    n-dodecanol 25.96
    dimethoxymethane 211.32
    ethylene carbonate 125.51
    cyrene 114.13
    2-ethoxyethyl acetate 110.36
    2-ethylhexyl acetate 90.79
    1,2,4-trichlorobenzene 133.83
    4-methylpyridine 237.29
    dibutyl ether 51.04
    2,6-dimethyl-4-heptanol 41.0
    DEF 136.72
    dimethyl isosorbide 201.29
    tetrachloroethylene 156.14
    eugenol 96.43
    triacetin 96.44
    span 80 88.7
    1,4-butanediol 41.94
    1,1-dichloroethane 169.68
    2-methyl-1-pentanol 81.05
    methyl formate 116.69
    2-methyl-1-butanol 107.1
    n-decane 5.36
    butyronitrile 156.29
    3,7-dimethyl-1-octanol 55.41
    1-chlorooctane 30.05
    1-chlorotetradecane 11.09
    n-nonane 4.61
    undecane 3.85
    tert-butylcyclohexane 10.64
    cyclooctane 5.79
    cyclopentanol 117.16
    tetrahydropyran 316.88
    tert-amyl methyl ether 87.5
    2,5,8-trioxanonane 175.56
    1-hexene 39.3
    2-isopropoxyethanol 92.65
    2,2,2-trifluoroethanol 42.56
    methyl butyrate 100.65

    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
Osmanthus absolute 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.3%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.3%