Retro-methyl-alpha-ionol

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  • Identifiers

    CAS number
    945426-65-3

    Molecular formula
    C14H24O

    SMILES
    CC\1=CCCC(/C1=C/CC(C)OC)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 80.37%
    Floral 61.43%
    Fruity 57.53%
    Sweet 51.4%
    Berry 47.8%
    Powdery 45.36%
    Violet 43.73%
    Tropical 38.02%
    Orris 37.38%
    Spicy 36.79%

     

    Flavor
    Woody 69.23%
    Floral 57.44%
    Herbal 42.78%
    Wood 41.31%
    Sweet 37.47%
    Citrus 36.25%
    Tropical 35.22%
    Green 30.03%
    Amber 28.34%
    Herb 27.93%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    8.95 (weak base)

    Molecular weight
    208.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    248°C

    Flash point

    • 95.59 ˚C est.

  • Synonyms

    • 945426-65-3
    • retro-Methyl-a-ionol
    • RETRO-METHYL-ALPHA-IONOL
    • (6Z)-6-(3-METHOXYBUTYLIDENE)-1,5,5-TRIMETHYLCYCLOHEX-1-ENE
    • retro-Methyl-?-ionol
    • retro-Methyl- alpha -ionol
    • (6Z)-6-(3-Methoxybutylidene)-1,5,5-trimethylcyclohexene
    • DB-223243
    • 945426-65-3

  • Applications

    Retro-methyl-alpha-ionol (CAS 945426-65-3) is used as an odorant and fragrance ingredient in perfumery, often contributing violet-like notes; it may be employed as an aroma chemical in flavor formulations where permitted; in cosmetics and personal care it functions as a fragrance component; in household products such as cleaners and air fresheners it serves as a scent additive; in coatings, inks and other polymer systems it can be used as a fragrance additive; it can act as an intermediate in the synthesis of ionone-related fragrance compounds for fragrance portfolios; usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 995.55
    methanol 627.83
    isopropanol 717.1
    water 0.5
    ethyl acetate 1715.87
    n-propanol 954.64
    acetone 939.13
    n-butanol 1120.13
    acetonitrile 693.07
    DMF 709.05
    toluene 1705.77
    isobutanol 695.79
    1,4-dioxane 3033.43
    methyl acetate 1007.05
    THF 2738.76
    2-butanone 1062.33
    n-pentanol 519.53
    sec-butanol 730.94
    n-hexane 399.68
    ethylene glycol 73.81
    NMP 883.76
    cyclohexane 1093.82
    DMSO 458.89
    n-butyl acetate 1498.49
    n-octanol 335.37
    chloroform 3496.79
    n-propyl acetate 703.81
    acetic acid 552.11
    dichloromethane 2802.53
    cyclohexanone 1719.24
    propylene glycol 135.95
    isopropyl acetate 1114.8
    DMAc 819.97
    2-ethoxyethanol 564.41
    isopentanol 918.48
    n-heptane 365.1
    ethyl formate 580.0
    1,2-dichloroethane 1767.15
    n-hexanol 1192.12
    2-methoxyethanol 928.08
    isobutyl acetate 523.03
    tetrachloromethane 847.23
    n-pentyl acetate 654.55
    transcutol 3159.75
    n-heptanol 396.08
    ethylbenzene 572.25
    MIBK 659.48
    2-propoxyethanol 1326.84
    tert-butanol 924.03
    MTBE 1739.35
    2-butoxyethanol 598.09
    propionic acid 459.26
    o-xylene 761.76
    formic acid 126.5
    diethyl ether 2597.08
    m-xylene 923.2
    p-xylene 653.52
    chlorobenzene 1338.63
    dimethyl carbonate 336.65
    n-octane 86.55
    formamide 193.95
    cyclopentanone 1242.08
    2-pentanone 1135.31
    anisole 841.41
    cyclopentyl methyl ether 1857.87
    gamma-butyrolactone 1157.12
    1-methoxy-2-propanol 741.97
    pyridine 1725.25
    3-pentanone 1032.35
    furfural 1004.43
    n-dodecane 53.88
    diethylene glycol 514.66
    diisopropyl ether 786.81
    tert-amyl alcohol 831.0
    acetylacetone 966.05
    n-hexadecane 64.35
    acetophenone 571.18
    methyl propionate 977.15
    isopentyl acetate 1252.66
    trichloroethylene 2994.4
    n-nonanol 326.86
    cyclohexanol 1263.59
    benzyl alcohol 475.55
    2-ethylhexanol 764.85
    isooctanol 321.0
    dipropyl ether 1301.95
    1,2-dichlorobenzene 1028.03
    ethyl lactate 212.27
    propylene carbonate 784.75
    n-methylformamide 324.42
    2-pentanol 753.56
    n-pentane 465.99
    1-propoxy-2-propanol 980.27
    1-methoxy-2-propyl acetate 1301.0
    2-(2-methoxypropoxy) propanol 602.74
    mesitylene 553.43
    ε-caprolactone 1518.71
    p-cymene 414.75
    epichlorohydrin 1768.61
    1,1,1-trichloroethane 2091.46
    2-aminoethanol 223.96
    morpholine-4-carbaldehyde 1282.82
    sulfolane 956.6
    2,2,4-trimethylpentane 197.1
    2-methyltetrahydrofuran 2617.46
    n-hexyl acetate 891.9
    isooctane 145.93
    2-(2-butoxyethoxy)ethanol 859.92
    sec-butyl acetate 604.5
    tert-butyl acetate 1129.92
    decalin 286.68
    glycerin 164.59
    diglyme 1588.28
    acrylic acid 322.5
    isopropyl myristate 345.04
    n-butyric acid 1002.66
    acetyl acetate 943.84
    di(2-ethylhexyl) phthalate 288.53
    ethyl propionate 695.68
    nitromethane 737.05
    1,2-diethoxyethane 1672.32
    benzonitrile 698.85
    trioctyl phosphate 195.5
    1-bromopropane 1549.45
    gamma-valerolactone 1616.14
    n-decanol 240.1
    triethyl phosphate 358.21
    4-methyl-2-pentanol 424.77
    propionitrile 747.18
    vinylene carbonate 758.22
    1,1,2-trichlorotrifluoroethane 911.34
    DMS 623.35
    cumene 355.05
    2-octanol 247.47
    2-hexanone 614.73
    octyl acetate 402.77
    limonene 696.6
    1,2-dimethoxyethane 1213.62
    ethyl orthosilicate 406.84
    tributyl phosphate 266.63
    diacetone alcohol 686.7
    N,N-dimethylaniline 507.27
    acrylonitrile 603.82
    aniline 1095.87
    1,3-propanediol 438.04
    bromobenzene 1632.76
    dibromomethane 2068.86
    1,1,2,2-tetrachloroethane 2381.19
    2-methyl-cyclohexyl acetate 682.16
    tetrabutyl urea 295.93
    diisobutyl methanol 371.7
    2-phenylethanol 710.81
    styrene 682.31
    dioctyl adipate 443.9
    dimethyl sulfate 355.48
    ethyl butyrate 958.29
    methyl lactate 244.81
    butyl lactate 349.73
    diethyl carbonate 579.42
    propanediol butyl ether 351.64
    triethyl orthoformate 728.35
    p-tert-butyltoluene 423.46
    methyl 4-tert-butylbenzoate 538.28
    morpholine 2927.37
    tert-butylamine 830.55
    n-dodecanol 182.76
    dimethoxymethane 1026.41
    ethylene carbonate 741.67
    cyrene 383.21
    2-ethoxyethyl acetate 915.81
    2-ethylhexyl acetate 1097.48
    1,2,4-trichlorobenzene 1177.69
    4-methylpyridine 1760.74
    dibutyl ether 726.0
    2,6-dimethyl-4-heptanol 371.7
    DEF 1116.42
    dimethyl isosorbide 1002.63
    tetrachloroethylene 1728.45
    eugenol 421.4
    triacetin 655.58
    span 80 522.23
    1,4-butanediol 122.99
    1,1-dichloroethane 1821.96
    2-methyl-1-pentanol 523.39
    methyl formate 257.12
    2-methyl-1-butanol 881.16
    n-decane 104.5
    butyronitrile 945.95
    3,7-dimethyl-1-octanol 396.63
    1-chlorooctane 392.6
    1-chlorotetradecane 146.65
    n-nonane 106.96
    undecane 71.44
    tert-butylcyclohexane 239.87
    cyclooctane 392.85
    cyclopentanol 715.66
    tetrahydropyran 3723.4
    tert-amyl methyl ether 1201.74
    2,5,8-trioxanonane 950.23
    1-hexene 818.18
    2-isopropoxyethanol 459.13
    2,2,2-trifluoroethanol 173.64
    methyl butyrate 772.48

    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