Methyl-delta-ionone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    7784-98-7

    Molecular formula
    C14H22O

    SMILES
    CCC(=O)/C=C/C1C(C=CCC1(C)C)C

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 85.47%
    Floral 52.25%
    Violet 51.84%
    Orris 48.0%
    Powdery 43.42%
    Dry 41.96%
    Amber 41.3%
    Berry 37.57%
    Sweet 36.46%
    Sandalwood 35.33%

     

    Flavor
    Floral 59.21%
    Woody 57.76%
    Sweet 48.53%
    Fruity 41.17%
    Spicy 39.04%
    Tropical 36.38%
    Herbal 35.82%
    Violet 34.78%
    Spice 32.5%
    Mint 29.27%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.45 (weak base)

    Molecular weight
    206.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    266°C

    Flash point

    • 123.07 ˚C est.

    Solubility expt.

    • insoluble in water; soluble in alcohol

  • Synonyms

    • Methyl-delta-ionone
    • methyl delta-ionone
    • Methylionone, delta-
    • EINECS 232-074-7
    • 7784-98-7
    • UNII-11E70LY0Z5
    • 1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-1-penten-3-one
    • 5-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-4-penten-3-one
    • 11E70LY0Z5
    • 1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)pent-1-en-3-one
    • METHYL .DELTA.-IONONE
    • METHYL-.DELTA.-IONONE
    • 1-Penten-3-one, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-
    • (1E)-1-(2,6,6-TRIMETHYLCYCLOHEX-3-EN-1-YL)PENT-1-EN-3-ONE
    • (E)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)pent-1-en-3-one
    • SCHEMBL3504721
    • CHEBI:172146
    • ZQJCPDKTEXSWTH-CMDGGOBGSA-N
    • Q27251318
    • 232-074-7

  • Applications

    Methyl-delta-ionone, CAS 7784-98-7, is a fragrance ingredient used in perfumery and cosmetics to impart violet-like notes; typical applications include use as an aroma component in perfumes and personal care products (shampoos, soaps, etc.), and as a flavor/aroma ingredient in approved food and beverage formulations; it is also used in household cleaning products to provide a floral-violet scent; in addition, it can serve as a synthetic intermediate in fragrance synthesis to help tailor notes in scent blends; all applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1246.68
    methanol 941.62
    isopropanol 926.85
    water 0.45
    ethyl acetate 1922.76
    n-propanol 984.43
    acetone 1547.92
    n-butanol 1105.79
    acetonitrile 909.65
    DMF 1506.41
    toluene 1344.34
    isobutanol 750.35
    1,4-dioxane 2489.06
    methyl acetate 1024.76
    THF 3530.87
    2-butanone 1358.03
    n-pentanol 490.79
    sec-butanol 698.65
    n-hexane 204.76
    ethylene glycol 70.51
    NMP 1257.38
    cyclohexane 523.2
    DMSO 654.66
    n-butyl acetate 1361.17
    n-octanol 263.76
    chloroform 2900.08
    n-propyl acetate 709.47
    acetic acid 596.23
    dichloromethane 2587.31
    cyclohexanone 2046.26
    propylene glycol 142.71
    isopropyl acetate 1247.41
    DMAc 1103.57
    2-ethoxyethanol 528.51
    isopentanol 953.41
    n-heptane 114.89
    ethyl formate 647.53
    1,2-dichloroethane 1812.91
    n-hexanol 976.45
    2-methoxyethanol 1110.66
    isobutyl acetate 521.16
    tetrachloromethane 464.78
    n-pentyl acetate 536.28
    transcutol 3362.39
    n-heptanol 289.28
    ethylbenzene 432.66
    MIBK 889.61
    2-propoxyethanol 1295.68
    tert-butanol 1053.32
    MTBE 1745.07
    2-butoxyethanol 521.73
    propionic acid 467.99
    o-xylene 526.22
    formic acid 151.01
    diethyl ether 2432.92
    m-xylene 775.67
    p-xylene 495.67
    chlorobenzene 1185.77
    dimethyl carbonate 413.77
    n-octane 34.39
    formamide 263.64
    cyclopentanone 1868.58
    2-pentanone 1644.21
    anisole 762.93
    cyclopentyl methyl ether 1811.33
    gamma-butyrolactone 1732.37
    1-methoxy-2-propanol 935.11
    pyridine 1628.96
    3-pentanone 1036.39
    furfural 1207.28
    n-dodecane 22.38
    diethylene glycol 536.9
    diisopropyl ether 666.97
    tert-amyl alcohol 762.62
    acetylacetone 1272.5
    n-hexadecane 27.44
    acetophenone 531.49
    methyl propionate 1159.42
    isopentyl acetate 1240.18
    trichloroethylene 2913.37
    n-nonanol 237.4
    cyclohexanol 996.84
    benzyl alcohol 439.52
    2-ethylhexanol 509.98
    isooctanol 235.13
    dipropyl ether 838.86
    1,2-dichlorobenzene 899.68
    ethyl lactate 218.62
    propylene carbonate 949.1
    n-methylformamide 586.16
    2-pentanol 746.83
    n-pentane 232.68
    1-propoxy-2-propanol 917.09
    1-methoxy-2-propyl acetate 1279.37
    2-(2-methoxypropoxy) propanol 519.61
    mesitylene 459.3
    ε-caprolactone 1539.85
    p-cymene 262.71
    epichlorohydrin 2306.2
    1,1,1-trichloroethane 1655.65
    2-aminoethanol 232.77
    morpholine-4-carbaldehyde 1460.76
    sulfolane 1256.63
    2,2,4-trimethylpentane 103.21
    2-methyltetrahydrofuran 2785.68
    n-hexyl acetate 784.06
    isooctane 94.88
    2-(2-butoxyethoxy)ethanol 795.26
    sec-butyl acetate 600.3
    tert-butyl acetate 1193.23
    decalin 154.29
    glycerin 184.57
    diglyme 1450.36
    acrylic acid 334.93
    isopropyl myristate 266.09
    n-butyric acid 1051.96
    acetyl acetate 883.53
    di(2-ethylhexyl) phthalate 233.3
    ethyl propionate 667.36
    nitromethane 938.28
    1,2-diethoxyethane 1435.76
    benzonitrile 708.06
    trioctyl phosphate 158.63
    1-bromopropane 1425.24
    gamma-valerolactone 2208.21
    n-decanol 163.12
    triethyl phosphate 267.47
    4-methyl-2-pentanol 429.14
    propionitrile 883.66
    vinylene carbonate 860.22
    1,1,2-trichlorotrifluoroethane 870.51
    DMS 606.3
    cumene 264.28
    2-octanol 187.94
    2-hexanone 674.27
    octyl acetate 318.53
    limonene 422.85
    1,2-dimethoxyethane 1170.08
    ethyl orthosilicate 293.31
    tributyl phosphate 229.83
    diacetone alcohol 777.1
    N,N-dimethylaniline 448.69
    acrylonitrile 786.91
    aniline 952.6
    1,3-propanediol 480.93
    bromobenzene 1380.3
    dibromomethane 1776.95
    1,1,2,2-tetrachloroethane 2152.78
    2-methyl-cyclohexyl acetate 527.99
    tetrabutyl urea 247.41
    diisobutyl methanol 280.66
    2-phenylethanol 653.37
    styrene 552.0
    dioctyl adipate 356.26
    dimethyl sulfate 447.74
    ethyl butyrate 742.12
    methyl lactate 288.28
    butyl lactate 337.81
    diethyl carbonate 441.91
    propanediol butyl ether 389.82
    triethyl orthoformate 490.69
    p-tert-butyltoluene 275.59
    methyl 4-tert-butylbenzoate 452.07
    morpholine 2863.35
    tert-butylamine 817.92
    n-dodecanol 116.67
    dimethoxymethane 1482.33
    ethylene carbonate 816.42
    cyrene 370.88
    2-ethoxyethyl acetate 832.23
    2-ethylhexyl acetate 955.05
    1,2,4-trichlorobenzene 981.59
    4-methylpyridine 1967.24
    dibutyl ether 511.47
    2,6-dimethyl-4-heptanol 280.66
    DEF 1485.45
    dimethyl isosorbide 946.53
    tetrachloroethylene 1355.77
    eugenol 382.81
    triacetin 555.38
    span 80 436.46
    1,4-butanediol 115.99
    1,1-dichloroethane 1882.79
    2-methyl-1-pentanol 475.89
    methyl formate 415.33
    2-methyl-1-butanol 800.03
    n-decane 45.68
    butyronitrile 1156.76
    3,7-dimethyl-1-octanol 320.01
    1-chlorooctane 242.11
    1-chlorotetradecane 79.9
    n-nonane 44.35
    undecane 30.36
    tert-butylcyclohexane 129.72
    cyclooctane 160.31
    cyclopentanol 751.1
    tetrahydropyran 3355.62
    tert-amyl methyl ether 991.89
    2,5,8-trioxanonane 817.83
    1-hexene 619.2
    2-isopropoxyethanol 417.86
    2,2,2-trifluoroethanol 184.08
    methyl butyrate 799.87

    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