alpha-IONOL

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  • Identifiers

    CAS number
    25312-34-9

    Molecular formula
    C13H22O

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

  • Odor profile

    Woody 82.35%
    Sweet 68.26%
    Floral 65.84%
    Violet 56.98%
    Berry 54.71%
    Powdery 54.36%
    Fruity 43.43%
    Tropical 40.93%
    Orris 40.9%
    Balsamic 40.51%

    Scent© AI

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    9.77 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 127.00 °C. @ 15.00 mm Hg

    Flash point est.
    122.21 ˚C

  • Synonyms

    • alpha-Ionol
    • 25312-34-9
    • alpha-lonol
    • (E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
    • 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (3E)-
    • latilure
    • FEMA No. 3624
    • .alpha.-Ionol
    • Ionol, alpha-
    • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol
    • 472-78-6
    • BRN 2327829
    • 4,7-Megastigmadien-9-ol
    • 4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-ol
    • EINECS 246-815-7
    • 4QI2W5Y52K
    • AI3-36071
    • EINECS 207-455-6
    • IONOL, .ALPHA.-
    • .ALPHA.-IONOL [FHFI]
    • (+/-)-.ALPHA.-IONOL
    • 3-Buten-2-ol, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
    • a-Ionol (Technical Grade)
    • Alpha-Ionol (Technical Grade)
    • (3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
    • (3E)-4-(2,6,6-TRIMETHYL-2-CYCLOHEXENYL)-3-BUTEN-2-OL
    • DTXSID50865202
    • UNII-4QI2W5Y52K
    • alpha -Ionol
    • (3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol; (3E)-4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-ol; 4-(2,6,6-Trimethyl-2-cyclohexenyl)but-3-en-2-ol; 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol; (3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol
    • (+/-)-ALPHA-IONOL
    • SCHEMBL1245068
    • CHEMBL4445039
    • DTXCID60813638
    • DTXSID60885294
    • CHEBI:191484
    • MFCD00036594
    • .ALPHA.-IONOL, (+/-)-
    • alpha-Ionol, technical, >=90% (GC)
    • NS00012647
    • G63671
    • Q27260370
    • (E)-4-(2,6,6-trimethylcyclohex-2-enyl)but-3-en-2-ol
    • (3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol
    • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol, 9CI
    • 4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-trans-3-buten-2-ol
    • 4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-ol, (3E)-
    • (3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-ol #
    • 207-455-6

  • Applications

    Alpha-IONOL (CAS 25312-34-9) is a terpene alcohol of the ionone family used as a fragrance ingredient in fine fragrances, cosmetics, personal care, detergents and fabric care thanks to its soft violet-floral, light woody and tea-fruity facets that round, extend and help fix accords; as a low-level flavoring to add berry, peach, tea/violet nuances to beverages, confectionery, baked goods and complex flavor bases; as a synthetic intermediate for preparing alpha‑ionone, methyl ionones, damascones/damascenones and related norisoprenoid aroma chemicals for perfumery, flavoring and natural-aroma research; and as a reference material in studies of carotenoid degradation and aroma stability; it dissolves well in alcohols and oils, is sparingly soluble in water, and suits both alcohol-based and emulsion formulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 735.92
    methanol 616.54
    isopropanol 509.4
    water 0.44
    ethyl acetate 482.22
    n-propanol 569.96
    acetone 543.53
    n-butanol 565.18
    acetonitrile 359.27
    DMF 460.6
    toluene 273.33
    isobutanol 357.68
    1,4-dioxane 1098.1
    methyl acetate 383.79
    THF 1831.22
    2-butanone 479.02
    n-pentanol 236.62
    sec-butanol 334.6
    n-hexane 57.59
    ethylene glycol 49.61
    NMP 373.37
    cyclohexane 131.35
    DMSO 325.27
    n-butyl acetate 531.47
    n-octanol 196.63
    chloroform 696.4
    n-propyl acetate 228.85
    acetic acid 225.19
    dichloromethane 619.85
    cyclohexanone 584.07
    propylene glycol 120.72
    isopropyl acetate 296.22
    DMAc 294.79
    2-ethoxyethanol 251.52
    isopentanol 390.64
    n-heptane 83.93
    ethyl formate 270.59
    1,2-dichloroethane 357.89
    n-hexanol 598.01
    2-methoxyethanol 588.36
    isobutyl acetate 178.4
    tetrachloromethane 124.42
    n-pentyl acetate 213.72
    transcutol 1202.32
    n-heptanol 213.55
    ethylbenzene 104.92
    MIBK 261.41
    2-propoxyethanol 649.65
    tert-butanol 512.76
    MTBE 506.31
    2-butoxyethanol 309.95
    propionic acid 206.72
    o-xylene 135.47
    formic acid 61.76
    diethyl ether 653.89
    m-xylene 193.86
    p-xylene 133.39
    chlorobenzene 254.28
    dimethyl carbonate 113.55
    n-octane 23.94
    formamide 97.6
    cyclopentanone 729.0
    2-pentanone 474.78
    anisole 216.19
    cyclopentyl methyl ether 592.8
    gamma-butyrolactone 633.97
    1-methoxy-2-propanol 472.56
    pyridine 473.0
    3-pentanone 288.82
    furfural 396.3
    n-dodecane 17.71
    diethylene glycol 278.37
    diisopropyl ether 175.64
    tert-amyl alcohol 326.69
    acetylacetone 346.35
    n-hexadecane 20.42
    acetophenone 163.06
    methyl propionate 322.87
    isopentyl acetate 399.23
    trichloroethylene 573.96
    n-nonanol 164.66
    cyclohexanol 354.44
    benzyl alcohol 151.37
    2-ethylhexanol 291.62
    isooctanol 154.16
    dipropyl ether 411.57
    1,2-dichlorobenzene 196.81
    ethyl lactate 95.86
    propylene carbonate 326.7
    n-methylformamide 221.66
    2-pentanol 289.97
    n-pentane 77.44
    1-propoxy-2-propanol 497.79
    1-methoxy-2-propyl acetate 425.39
    2-(2-methoxypropoxy) propanol 254.98
    mesitylene 119.87
    ε-caprolactone 463.91
    p-cymene 114.53
    epichlorohydrin 718.02
    1,1,1-trichloroethane 355.94
    2-aminoethanol 162.93
    morpholine-4-carbaldehyde 497.85
    sulfolane 448.74
    2,2,4-trimethylpentane 37.24
    2-methyltetrahydrofuran 1049.26
    n-hexyl acetate 322.66
    isooctane 36.62
    2-(2-butoxyethoxy)ethanol 389.45
    sec-butyl acetate 160.53
    tert-butyl acetate 317.67
    decalin 42.62
    glycerin 130.06
    diglyme 592.99
    acrylic acid 126.83
    isopropyl myristate 129.8
    n-butyric acid 411.96
    acetyl acetate 225.24
    di(2-ethylhexyl) phthalate 122.15
    ethyl propionate 184.64
    nitromethane 333.61
    1,2-diethoxyethane 488.47
    benzonitrile 222.45
    trioctyl phosphate 102.59
    1-bromopropane 342.44
    gamma-valerolactone 759.38
    n-decanol 120.55
    triethyl phosphate 105.03
    4-methyl-2-pentanol 170.09
    propionitrile 357.32
    vinylene carbonate 283.93
    1,1,2-trichlorotrifluoroethane 284.16
    DMS 188.56
    cumene 78.59
    2-octanol 129.01
    2-hexanone 237.56
    octyl acetate 162.26
    limonene 188.84
    1,2-dimethoxyethane 492.77
    ethyl orthosilicate 114.37
    tributyl phosphate 115.86
    diacetone alcohol 298.16
    N,N-dimethylaniline 134.81
    acrylonitrile 280.22
    aniline 274.13
    1,3-propanediol 303.16
    bromobenzene 276.18
    dibromomethane 448.43
    1,1,2,2-tetrachloroethane 435.64
    2-methyl-cyclohexyl acetate 217.81
    tetrabutyl urea 131.33
    diisobutyl methanol 151.8
    2-phenylethanol 241.68
    styrene 125.23
    dioctyl adipate 158.63
    dimethyl sulfate 122.64
    ethyl butyrate 285.17
    methyl lactate 121.54
    butyl lactate 171.16
    diethyl carbonate 158.23
    propanediol butyl ether 264.8
    triethyl orthoformate 195.03
    p-tert-butyltoluene 124.62
    methyl 4-tert-butylbenzoate 191.16
    morpholine 1190.63
    tert-butylamine 390.56
    n-dodecanol 92.15
    dimethoxymethane 530.45
    ethylene carbonate 254.77
    cyrene 184.82
    2-ethoxyethyl acetate 281.88
    2-ethylhexyl acetate 322.6
    1,2,4-trichlorobenzene 229.06
    4-methylpyridine 461.57
    dibutyl ether 240.66
    2,6-dimethyl-4-heptanol 151.8
    DEF 349.0
    dimethyl isosorbide 433.0
    tetrachloroethylene 275.06
    eugenol 173.3
    triacetin 228.81
    span 80 263.01
    1,4-butanediol 70.15
    1,1-dichloroethane 394.3
    2-methyl-1-pentanol 194.06
    methyl formate 169.45
    2-methyl-1-butanol 317.75
    n-decane 34.27
    butyronitrile 465.03
    3,7-dimethyl-1-octanol 181.94
    1-chlorooctane 123.39
    1-chlorotetradecane 48.2
    n-nonane 34.11
    undecane 23.67
    tert-butylcyclohexane 45.04
    cyclooctane 46.67
    cyclopentanol 348.68
    tetrahydropyran 1234.38
    tert-amyl methyl ether 289.29
    2,5,8-trioxanonane 382.16
    1-hexene 176.81
    2-isopropoxyethanol 189.11
    2,2,2-trifluoroethanol 56.72
    methyl butyrate 237.12

    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
Aristolochia asclepiadifolia root Aristolochia asclepiadifolia, fam. Aristolochiaceae 9.0%