beta-Ionol, (E)-

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  • Identifiers

    CAS number
    22029-76-1

    Molecular formula
    C13H22O

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

  • Odor profile

    Woody 78.53%
    Floral 73.1%
    Fruity 69.91%
    Sweet 64.84%
    Berry 64.34%
    Powdery 54.08%
    Violet 52.99%
    Tropical 47.51%
    Raspberry 46.39%
    Orris 42.79%

    Scent© AI

  • Properties

    XLogP3-AA
    2.9

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 107.00 °C. @ 3.00 mm Hg

    Flash point est.
    119.79 ˚C

  • Synonyms

    • beta-Ionol
    • 22029-76-1
    • Ionol, beta-
    • beta-lonol
    • Ionol,beta
    • 2-Hydroxy-beta-ionone
    • Trans-beta-ionol
    • FEMA No. 3625
    • 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol
    • 472-80-0
    • 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
    • beta-Ionol, (E)-
    • (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
    • HTL4B7G3HH
    • 4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-ol
    • 4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-ol
    • (+/-)-Trans-beta-I(Eonol
    • .BETA.-IONOL
    • EINECS 244-735-7
    • TRANS-.BETA.-IONOL
    • .BETA.-IONOL [FHFI]
    • AI3-25084
    • (E)-4-(2,6,6-trimethylcyclohex-1-enyl)-3-buten-2-ol
    • (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ol
    • .BETA.-IONOL, (E)-
    • 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (3E)-
    • 3-Buten-2-ol, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-
    • EINECS 277-648-8
    • UNII-HTL4B7G3HH
    • DTXSID30865028
    • b-Ionol
    • .beta. Ionol
    • (E)-beta-ionol
    • SCHEMBL891562
    • beta-Ionol, analytical standard
    • DTXCID30813483
    • CHEBI:191586
    • STL560972
    • (+/-)-TRANS-.BETA.-IONOL
    • AKOS027320412
    • beta-Ionol, technical, >=90% (GC)
    • FI177964
    • CS-0336379
    • 4-(2,6,6-Trimethyl-1-cyclohexenyl)-But-3-en-2-ol
    • Q27280092
    • 4-(2,6,6-trimethyl-cyclohex-1-enyl)-but-3-en-2-ol
    • But-3-en-2-ol, 4-(2,6,6-trimethyl-1-cyclohexenyl)-
    • 3-Buten-2-ol,4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
    • (3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol #
    • 244-735-7

  • Applications

    (E)-Beta-Ionol (CAS 22029-76-1) is a carotenoid-derived C13 norisoprenoid alcohol with violet, woody, floral, and fruity nuances, used widely as a fragrance ingredient in fine fragrances, cosmetics, personal care, detergents, and household products; as a flavor note at trace levels where permitted to enhance berry, tea, citrus, or wine-like facets; as a synthetic intermediate to the ionone family (e.g., β-ionone, ionyl acetates) and related aroma esters; and as an analytical reference standard in GC/GC-MS for profiling aromas in wine, tea, tobacco, and fruits, as well as in sensory and shelf-life studies of oxidation/aging, with attention to dosage, (E)-isomer purity, formulation stability, and compliance with IFRA and local safety/flavor regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 870.34
    methanol 814.14
    isopropanol 582.07
    water 0.37
    ethyl acetate 593.3
    n-propanol 705.81
    acetone 682.61
    n-butanol 659.29
    acetonitrile 474.4
    DMF 640.56
    toluene 352.23
    isobutanol 429.91
    1,4-dioxane 1424.46
    methyl acetate 486.32
    THF 2214.04
    2-butanone 591.01
    n-pentanol 285.87
    sec-butanol 404.91
    n-hexane 71.05
    ethylene glycol 59.01
    NMP 474.5
    cyclohexane 161.37
    DMSO 386.91
    n-butyl acetate 644.77
    n-octanol 227.06
    chloroform 911.78
    n-propyl acetate 276.89
    acetic acid 242.36
    dichloromethane 849.51
    cyclohexanone 738.06
    propylene glycol 130.29
    isopropyl acetate 347.6
    DMAc 370.3
    2-ethoxyethanol 291.92
    isopentanol 442.11
    n-heptane 96.65
    ethyl formate 335.02
    1,2-dichloroethane 484.75
    n-hexanol 684.37
    2-methoxyethanol 705.71
    isobutyl acetate 203.29
    tetrachloromethane 159.82
    n-pentyl acetate 261.6
    transcutol 1364.11
    n-heptanol 243.04
    ethylbenzene 128.06
    MIBK 292.02
    2-propoxyethanol 770.36
    tert-butanol 609.13
    MTBE 599.65
    2-butoxyethanol 351.44
    propionic acid 240.88
    o-xylene 160.58
    formic acid 68.92
    diethyl ether 814.09
    m-xylene 228.36
    p-xylene 164.17
    chlorobenzene 323.02
    dimethyl carbonate 136.26
    n-octane 27.94
    formamide 119.56
    cyclopentanone 912.82
    2-pentanone 566.42
    anisole 265.86
    cyclopentyl methyl ether 730.21
    gamma-butyrolactone 801.81
    1-methoxy-2-propanol 536.46
    pyridine 597.17
    3-pentanone 349.16
    furfural 475.36
    n-dodecane 20.72
    diethylene glycol 319.96
    diisopropyl ether 201.77
    tert-amyl alcohol 383.09
    acetylacetone 406.7
    n-hexadecane 24.08
    acetophenone 194.03
    methyl propionate 398.82
    isopentyl acetate 469.73
    trichloroethylene 742.21
    n-nonanol 188.64
    cyclohexanol 426.2
    benzyl alcohol 183.59
    2-ethylhexanol 336.11
    isooctanol 173.71
    dipropyl ether 500.51
    1,2-dichlorobenzene 238.42
    ethyl lactate 104.13
    propylene carbonate 385.08
    n-methylformamide 302.75
    2-pentanol 329.36
    n-pentane 92.6
    1-propoxy-2-propanol 555.19
    1-methoxy-2-propyl acetate 488.84
    2-(2-methoxypropoxy) propanol 284.33
    mesitylene 136.64
    ε-caprolactone 576.45
    p-cymene 133.81
    epichlorohydrin 887.87
    1,1,1-trichloroethane 462.76
    2-aminoethanol 189.88
    morpholine-4-carbaldehyde 630.94
    sulfolane 544.19
    2,2,4-trimethylpentane 40.72
    2-methyltetrahydrofuran 1277.98
    n-hexyl acetate 381.92
    isooctane 39.19
    2-(2-butoxyethoxy)ethanol 441.33
    sec-butyl acetate 183.25
    tert-butyl acetate 365.93
    decalin 50.84
    glycerin 139.82
    diglyme 690.36
    acrylic acid 147.88
    isopropyl myristate 149.77
    n-butyric acid 467.34
    acetyl acetate 260.18
    di(2-ethylhexyl) phthalate 137.66
    ethyl propionate 226.07
    nitromethane 403.08
    1,2-diethoxyethane 592.07
    benzonitrile 274.07
    trioctyl phosphate 116.2
    1-bromopropane 451.56
    gamma-valerolactone 937.02
    n-decanol 136.56
    triethyl phosphate 120.75
    4-methyl-2-pentanol 185.93
    propionitrile 477.0
    vinylene carbonate 341.12
    1,1,2-trichlorotrifluoroethane 329.31
    DMS 222.55
    cumene 92.08
    2-octanol 149.01
    2-hexanone 283.29
    octyl acetate 190.03
    limonene 224.26
    1,2-dimethoxyethane 617.4
    ethyl orthosilicate 131.04
    tributyl phosphate 132.87
    diacetone alcohol 334.63
    N,N-dimethylaniline 163.13
    acrylonitrile 365.82
    aniline 334.55
    1,3-propanediol 345.89
    bromobenzene 345.24
    dibromomethane 594.29
    1,1,2,2-tetrachloroethane 547.88
    2-methyl-cyclohexyl acetate 251.79
    tetrabutyl urea 156.22
    diisobutyl methanol 167.31
    2-phenylethanol 284.11
    styrene 154.33
    dioctyl adipate 184.81
    dimethyl sulfate 142.41
    ethyl butyrate 340.39
    methyl lactate 134.48
    butyl lactate 195.38
    diethyl carbonate 182.87
    propanediol butyl ether 290.12
    triethyl orthoformate 225.07
    p-tert-butyltoluene 144.04
    methyl 4-tert-butylbenzoate 217.58
    morpholine 1554.21
    tert-butylamine 461.53
    n-dodecanol 104.35
    dimethoxymethane 686.74
    ethylene carbonate 306.67
    cyrene 211.87
    2-ethoxyethyl acetate 337.6
    2-ethylhexyl acetate 384.42
    1,2,4-trichlorobenzene 278.92
    4-methylpyridine 611.47
    dibutyl ether 294.51
    2,6-dimethyl-4-heptanol 167.31
    DEF 439.78
    dimethyl isosorbide 497.38
    tetrachloroethylene 350.67
    eugenol 198.37
    triacetin 255.31
    span 80 287.74
    1,4-butanediol 80.1
    1,1-dichloroethane 520.09
    2-methyl-1-pentanol 229.12
    methyl formate 224.63
    2-methyl-1-butanol 374.64
    n-decane 40.75
    butyronitrile 591.51
    3,7-dimethyl-1-octanol 204.81
    1-chlorooctane 148.14
    1-chlorotetradecane 57.21
    n-nonane 40.6
    undecane 27.85
    tert-butylcyclohexane 52.96
    cyclooctane 53.83
    cyclopentanol 420.43
    tetrahydropyran 1566.57
    tert-amyl methyl ether 339.58
    2,5,8-trioxanonane 435.63
    1-hexene 223.31
    2-isopropoxyethanol 216.94
    2,2,2-trifluoroethanol 60.79
    methyl butyrate 293.24

    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
Michelia champaca flower absolute Michelia champaca L., fam. Magnoliaceae 1.1%