3-Hydroxy-beta-ionone

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C13H20O2

    SMILES
    CC1=C(C(CC(C1)O)(C)C)/C=C/C(=O)C

  • Odor profile

    Fragrance
    Floral 80.68%
    Woody 78.01%
    Sweet 65.23%
    Powdery 47.79%
    Violet 44.4%
    Fruity 43.17%
    Berry 42.36%
    Orris 41.45%
    Dry 39.54%
    Tobacco 38.67%

     

    Flavor
    Woody 54.11%
    Floral 52.19%
    Sweet 51.91%
    Powdery 35.9%
    Minty 35.3%
    Violet 34.63%
    Spicy 33.6%
    Orris 31.97%
    Dry 28.9%
    Berry 28.33%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    9.05 (weak base)

    Molecular weight
    208.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    343°C

    Flash point

    • 139.87 ˚C est.

  • Synonyms

    • 3-hydroxy-beta-ionone
    • 4-Hydroxy-.beta.-ionone
    • SCHEMBL9793268
    • CHEBI:177961
    • (E)-4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
    • 3-hydroxy-9-apo-beta-caroten-9-one
    • (3E)-4-(4-Hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
    • (3E)-4-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 376.01
    methanol 661.0
    isopropanol 194.42
    water 2.73
    ethyl acetate 225.69
    n-propanol 243.14
    acetone 264.45
    n-butanol 195.76
    acetonitrile 261.39
    DMF 525.19
    toluene 111.14
    isobutanol 146.91
    1,4-dioxane 706.74
    methyl acetate 217.5
    THF 994.04
    2-butanone 173.14
    n-pentanol 114.82
    sec-butanol 130.16
    n-hexane 11.72
    ethylene glycol 70.46
    NMP 418.17
    cyclohexane 25.45
    DMSO 233.74
    n-butyl acetate 174.55
    n-octanol 102.04
    chloroform 326.95
    n-propyl acetate 115.55
    acetic acid 256.18
    dichloromethane 321.81
    cyclohexanone 313.22
    propylene glycol 114.48
    isopropyl acetate 129.18
    DMAc 278.81
    2-ethoxyethanol 177.85
    isopentanol 136.28
    n-heptane 16.58
    ethyl formate 188.6
    1,2-dichloroethane 158.6
    n-hexanol 237.35
    2-methoxyethanol 468.23
    isobutyl acetate 87.19
    tetrachloromethane 40.12
    n-pentyl acetate 107.25
    transcutol 730.75
    n-heptanol 94.24
    ethylbenzene 49.8
    MIBK 106.91
    2-propoxyethanol 430.45
    tert-butanol 228.71
    MTBE 133.12
    2-butoxyethanol 179.31
    propionic acid 173.09
    o-xylene 62.38
    formic acid 163.67
    diethyl ether 182.88
    m-xylene 88.1
    p-xylene 64.49
    chlorobenzene 125.89
    dimethyl carbonate 105.49
    n-octane 6.73
    formamide 192.62
    cyclopentanone 416.1
    2-pentanone 164.8
    anisole 140.74
    cyclopentyl methyl ether 292.62
    gamma-butyrolactone 529.76
    1-methoxy-2-propanol 329.74
    pyridine 263.21
    3-pentanone 116.15
    furfural 381.66
    n-dodecane 6.77
    diethylene glycol 291.74
    diisopropyl ether 49.84
    tert-amyl alcohol 133.85
    acetylacetone 201.11
    n-hexadecane 7.73
    acetophenone 113.86
    methyl propionate 188.21
    isopentyl acetate 143.37
    trichloroethylene 299.15
    n-nonanol 88.53
    cyclohexanol 173.54
    benzyl alcohol 118.19
    2-ethylhexanol 102.57
    isooctanol 66.5
    dipropyl ether 126.93
    1,2-dichlorobenzene 106.31
    ethyl lactate 79.76
    propylene carbonate 281.59
    n-methylformamide 291.12
    2-pentanol 104.82
    n-pentane 13.23
    1-propoxy-2-propanol 249.72
    1-methoxy-2-propyl acetate 215.05
    2-(2-methoxypropoxy) propanol 169.17
    mesitylene 53.65
    ε-caprolactone 301.79
    p-cymene 47.91
    epichlorohydrin 466.84
    1,1,1-trichloroethane 143.94
    2-aminoethanol 164.1
    morpholine-4-carbaldehyde 489.8
    sulfolane 372.6
    2,2,4-trimethylpentane 8.31
    2-methyltetrahydrofuran 439.36
    n-hexyl acetate 173.61
    isooctane 8.47
    2-(2-butoxyethoxy)ethanol 246.04
    sec-butyl acetate 80.93
    tert-butyl acetate 139.29
    decalin 13.28
    glycerin 154.08
    diglyme 397.63
    acrylic acid 141.55
    isopropyl myristate 65.73
    n-butyric acid 229.42
    acetyl acetate 158.39
    di(2-ethylhexyl) phthalate 72.83
    ethyl propionate 111.01
    nitromethane 385.02
    1,2-diethoxyethane 210.5
    benzonitrile 161.26
    trioctyl phosphate 57.21
    1-bromopropane 95.62
    gamma-valerolactone 564.39
    n-decanol 67.32
    triethyl phosphate 65.71
    4-methyl-2-pentanol 67.13
    propionitrile 180.26
    vinylene carbonate 251.18
    1,1,2-trichlorotrifluoroethane 234.31
    DMS 141.97
    cumene 38.25
    2-octanol 65.33
    2-hexanone 107.5
    octyl acetate 92.11
    limonene 68.12
    1,2-dimethoxyethane 335.94
    ethyl orthosilicate 66.05
    tributyl phosphate 65.17
    diacetone alcohol 172.6
    N,N-dimethylaniline 89.76
    acrylonitrile 196.7
    aniline 153.08
    1,3-propanediol 229.87
    bromobenzene 109.97
    dibromomethane 175.09
    1,1,2,2-tetrachloroethane 207.91
    2-methyl-cyclohexyl acetate 109.14
    tetrabutyl urea 81.33
    diisobutyl methanol 57.72
    2-phenylethanol 163.64
    styrene 56.94
    dioctyl adipate 94.92
    dimethyl sulfate 120.51
    ethyl butyrate 116.79
    methyl lactate 120.7
    butyl lactate 102.72
    diethyl carbonate 86.17
    propanediol butyl ether 179.67
    triethyl orthoformate 92.06
    p-tert-butyltoluene 50.3
    methyl 4-tert-butylbenzoate 120.8
    morpholine 704.45
    tert-butylamine 131.14
    n-dodecanol 50.78
    dimethoxymethane 391.3
    ethylene carbonate 216.01
    cyrene 158.95
    2-ethoxyethyl acetate 161.65
    2-ethylhexyl acetate 113.84
    1,2,4-trichlorobenzene 129.42
    4-methylpyridine 281.04
    dibutyl ether 98.09
    2,6-dimethyl-4-heptanol 57.72
    DEF 179.96
    dimethyl isosorbide 318.83
    tetrachloroethylene 124.04
    eugenol 129.63
    triacetin 145.29
    span 80 159.14
    1,4-butanediol 69.64
    1,1-dichloroethane 162.37
    2-methyl-1-pentanol 89.29
    methyl formate 259.06
    2-methyl-1-butanol 122.5
    n-decane 11.92
    butyronitrile 203.48
    3,7-dimethyl-1-octanol 88.2
    1-chlorooctane 52.78
    1-chlorotetradecane 21.22
    n-nonane 10.92
    undecane 8.78
    tert-butylcyclohexane 13.84
    cyclooctane 8.89
    cyclopentanol 213.55
    tetrahydropyran 475.28
    tert-amyl methyl ether 95.29
    2,5,8-trioxanonane 283.05
    1-hexene 47.4
    2-isopropoxyethanol 119.24
    2,2,2-trifluoroethanol 86.09
    methyl butyrate 135.99

    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
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.3%