METHYL-alpha-IONONE

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  • Identifiers

    CAS number
    127-42-4

    Molecular formula
    C14H22O

    SMILES
    CCC(=O)/C=C/[C@H]1C(=CCCC1(C)C)C

    Safety labels

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • Carbowax: 1836.0

  • Odor profile

    Woody 86.53%
    Floral 81.45%
    Sweet 71.92%
    Violet 70.42%
    Powdery 61.1%
    Orris 59.73%
    Fruity 59.12%
    Berry 58.83%
    Tobacco 44.64%
    Dry 42.76%

    Scent© AI

  • Properties

    XLogP3-AA
    3.4

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    272°C

    Flash point est.
    120.98 ˚C

  • Synonyms

    • 127-42-4
    • Methyl-alpha-ionone
    • alpha-Methylionone
    • QMK5X3FBG7
    • 93302-56-8
    • (1E)-1-[(1R)-2,6,6-Trimethyl-2-cyclohexen-1-yl]-1-penten-3-one
    • Methyl-.alpha.-ionone
    • CETONE, ALPHA.-
    • EINECS 297-035-9
    • .ALPHA-N-METHYLIONONE
    • (E)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one
    • (+)-.ALPHA.-METHYLIONONE
    • METHYL-.ALPHA.-IONONE [FHFI]
    • 5-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-4-penten-3-one
    • .ALPHA.-CYCLOCITRYLIDENE BUTANONE
    • (E)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-1-en-3-one
    • 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (R-(E))-
    • .ALPHA.-CYCLOCITRYLIDENE METHYL ETHYL KETONE
    • (R,E)-1-(2,6,6-Trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
    • 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, [R-(E)]-
    • 1-Penten-3-one, 1-((1R)-2,6,6-trimethyl-2-cyclohexen-1-yl)-, (1E)-
    • UNII-QMK5X3FBG7
    • FEMA No. 2711
    • (+-)-alpha-Methylionone
    • (1E)-1-((1R)-2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one
    • 1-Penten-3-one, 1-[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]-, (1E)-
    • SCHEMBL2449759
    • (+)-ALPHA-METHYLIONONE
    • DTXSID1051642
    • SCHEMBL17627765
    • VPKMGDRERYMTJX-XEHSLEBBSA-N
    • ALPHA-CYCLOCITRYLIDENE BUTANONE
    • F88684
    • ALPHA-CYCLOCITRYLIDENE METHYL ETHYL KETONE
    • Q27287341
    • (1E)-1-[(1R)-2,6,6-Trimethylcyclohex-2-en-1-yl]pent-1-en-3-one
    • (1E)?-?1-?[(1R)?-?2,?6,?6-?Trimethyl-?2-?cyclohexen-?1-?yl]?-?1-?penten-?3-?one

  • Applications

    Methyl-α-ionone (CAS 127-42-4) is a fragrance ingredient with a powdery violet/orris, warm woody and slightly fruity character, widely used as a bodying, blending and fixative material in fine fragrances, cosmetics (creams, lotions, shampoos), bar/liquid soaps, laundry detergents, hard-surface cleaners, fabric softeners, deodorants, candles and air care due to its good diffusion, long-lastingness and stability in surfactant systems; it rounds and softens compositions, masks harsh facets in aldehydic/citrus bases, enriches violet–orris signatures, deepens woody/amber/musk themes, supports rose/jasmine/muguet florals, and can nuance plum/peach/tobacco accords; typically dosed at low levels as a linker between floral and woody spaces, it shows high compatibility with ionones/irones, violet leaf, patchouli, vetiver, cedar derivatives, musks and ambers, and serves as a useful reference material for fragrance R&D and for formulas requiring alkaline/oxidative stability; use should follow safety assessments and applicable IFRA and regional regulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1288.72
    methanol 988.97
    isopropanol 918.34
    water 0.43
    ethyl acetate 2124.5
    n-propanol 1051.86
    acetone 1677.43
    n-butanol 1173.42
    acetonitrile 989.73
    DMF 1903.32
    toluene 1651.28
    isobutanol 782.48
    1,4-dioxane 2761.0
    methyl acetate 1178.45
    THF 3699.72
    2-butanone 1561.21
    n-pentanol 520.16
    sec-butanol 753.38
    n-hexane 183.26
    ethylene glycol 78.88
    NMP 1597.72
    cyclohexane 495.91
    DMSO 714.17
    n-butyl acetate 1510.74
    n-octanol 254.63
    chloroform 3392.74
    n-propyl acetate 762.47
    acetic acid 694.84
    dichloromethane 2943.96
    cyclohexanone 2333.08
    propylene glycol 155.82
    isopropyl acetate 1399.83
    DMAc 1441.21
    2-ethoxyethanol 576.24
    isopentanol 1016.1
    n-heptane 95.96
    ethyl formate 722.44
    1,2-dichloroethane 2073.05
    n-hexanol 988.0
    2-methoxyethanol 1262.45
    isobutyl acetate 569.99
    tetrachloromethane 515.35
    n-pentyl acetate 592.78
    transcutol 4033.91
    n-heptanol 289.85
    ethylbenzene 495.81
    MIBK 965.33
    2-propoxyethanol 1417.79
    tert-butanol 1093.63
    MTBE 1909.16
    2-butoxyethanol 565.56
    propionic acid 530.66
    o-xylene 631.89
    formic acid 187.23
    diethyl ether 2618.36
    m-xylene 911.43
    p-xylene 569.0
    chlorobenzene 1418.03
    dimethyl carbonate 509.96
    n-octane 28.46
    formamide 331.26
    cyclopentanone 2136.06
    2-pentanone 1775.01
    anisole 928.1
    cyclopentyl methyl ether 2048.66
    gamma-butyrolactone 1911.71
    1-methoxy-2-propanol 1012.57
    pyridine 1948.74
    3-pentanone 1212.13
    furfural 1415.21
    n-dodecane 18.83
    diethylene glycol 601.91
    diisopropyl ether 701.22
    tert-amyl alcohol 846.2
    acetylacetone 1493.41
    n-hexadecane 23.45
    acetophenone 629.58
    methyl propionate 1351.57
    isopentyl acetate 1371.94
    trichloroethylene 3531.5
    n-nonanol 239.66
    cyclohexanol 1110.75
    benzyl alcohol 520.58
    2-ethylhexanol 515.44
    isooctanol 240.35
    dipropyl ether 843.6
    1,2-dichlorobenzene 1087.91
    ethyl lactate 241.53
    propylene carbonate 1060.97
    n-methylformamide 702.52
    2-pentanol 774.03
    n-pentane 218.47
    1-propoxy-2-propanol 977.36
    1-methoxy-2-propyl acetate 1502.3
    2-(2-methoxypropoxy) propanol 605.13
    mesitylene 509.2
    ε-caprolactone 1767.72
    p-cymene 276.11
    epichlorohydrin 2655.14
    1,1,1-trichloroethane 1949.98
    2-aminoethanol 264.92
    morpholine-4-carbaldehyde 1845.77
    sulfolane 1423.81
    2,2,4-trimethylpentane 103.94
    2-methyltetrahydrofuran 3087.59
    n-hexyl acetate 863.54
    isooctane 89.32
    2-(2-butoxyethoxy)ethanol 903.86
    sec-butyl acetate 672.91
    tert-butyl acetate 1374.36
    decalin 153.67
    glycerin 202.17
    diglyme 1703.72
    acrylic acid 393.99
    isopropyl myristate 278.68
    n-butyric acid 1157.11
    acetyl acetate 1029.42
    di(2-ethylhexyl) phthalate 256.27
    ethyl propionate 749.78
    nitromethane 1132.84
    1,2-diethoxyethane 1595.93
    benzonitrile 832.12
    trioctyl phosphate 167.95
    1-bromopropane 1558.26
    gamma-valerolactone 2601.35
    n-decanol 161.95
    triethyl phosphate 295.08
    4-methyl-2-pentanol 437.67
    propionitrile 999.95
    vinylene carbonate 992.29
    1,1,2-trichlorotrifluoroethane 1036.84
    DMS 715.31
    cumene 290.3
    2-octanol 185.2
    2-hexanone 727.85
    octyl acetate 340.95
    limonene 452.77
    1,2-dimethoxyethane 1344.4
    ethyl orthosilicate 329.65
    tributyl phosphate 254.33
    diacetone alcohol 895.78
    N,N-dimethylaniline 548.75
    acrylonitrile 932.14
    aniline 1194.58
    1,3-propanediol 529.73
    bromobenzene 1657.25
    dibromomethane 1942.47
    1,1,2,2-tetrachloroethane 2586.28
    2-methyl-cyclohexyl acetate 589.38
    tetrabutyl urea 278.3
    diisobutyl methanol 275.23
    2-phenylethanol 739.65
    styrene 649.65
    dioctyl adipate 387.46
    dimethyl sulfate 547.21
    ethyl butyrate 799.95
    methyl lactate 335.49
    butyl lactate 376.08
    diethyl carbonate 481.91
    propanediol butyl ether 414.15
    triethyl orthoformate 545.71
    p-tert-butyltoluene 292.99
    methyl 4-tert-butylbenzoate 519.23
    morpholine 3307.62
    tert-butylamine 849.32
    n-dodecanol 113.34
    dimethoxymethane 1762.89
    ethylene carbonate 932.17
    cyrene 421.93
    2-ethoxyethyl acetate 969.63
    2-ethylhexyl acetate 1089.51
    1,2,4-trichlorobenzene 1197.37
    4-methylpyridine 2449.86
    dibutyl ether 530.11
    2,6-dimethyl-4-heptanol 275.23
    DEF 1799.51
    dimethyl isosorbide 1103.7
    tetrachloroethylene 1606.71
    eugenol 439.14
    triacetin 642.82
    span 80 479.62
    1,4-butanediol 126.97
    1,1-dichloroethane 2128.69
    2-methyl-1-pentanol 526.16
    methyl formate 492.69
    2-methyl-1-butanol 889.93
    n-decane 38.72
    butyronitrile 1250.49
    3,7-dimethyl-1-octanol 330.63
    1-chlorooctane 233.81
    1-chlorotetradecane 75.61
    n-nonane 36.19
    undecane 25.86
    tert-butylcyclohexane 129.62
    cyclooctane 149.23
    cyclopentanol 782.76
    tetrahydropyran 3649.96
    tert-amyl methyl ether 1132.64
    2,5,8-trioxanonane 959.38
    1-hexene 605.09
    2-isopropoxyethanol 458.02
    2,2,2-trifluoroethanol 215.27
    methyl butyrate 892.63

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction / Specification
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 5.4 % Category 7A
Rinse-off products applied to the hair with some hand contact
 61 %
Category 2
Products applied to the axillae
 1.6 % Category 7B
Leave-on products applied to the hair with some hand contact
 61 %
Category 3
Products applied to the face/body using fingertips
 32 % Category 8
Products with significant anogenital exposure
 3.2 %
Category 4
Products related to fine fragrance
 30 % Category 9
Products with body and hand exposure, primarily rinse off
 59 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 7.6 % Category 10A
Household care products with mostly hand contact
 100 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 7.6 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 100 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 7.6 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 100 %
Category 5D
Baby Creams, baby Oils and baby talc
 7.6 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 100 %
Category 6
Products with oral and lip exposure
 18 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Specification
Pseudo methyl ionones (CAS numbers 26651-96-7, 72968-25-3, 1117-41-5) should not be used as fragrance ingredient as such. A level of up to 2% of Pseudo methyl ionones as an impurity in Methyl ionones is accepted.

Botanical

Name CAS Botanical Proportion
Boldo leaf Boldea fragrans Juss. (Peumus boldus Mol.) 0.4%
Osmanthus concentrate 1 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.05%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.04%
Eremocharis triradiata Eremocharis triradiata (Wolff.) Johnston, fam. Apiaceae (Umbelliferae) 0.01%