2-Methylene-3,5,5-trimethylhexanal

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  • Identifiers

    CAS number
    22414-70-6

    Molecular formula
    C10H18O

    SMILES
    CC(CC(C)(C)C)C(=C)C=O

  • Odor profile

    Fragrance
    Herbal 60.16%
    Woody 56.84%
    Mint 52.26%
    Camphoreous 45.31%
    Green 39.43%
    Citrus 35.34%
    Spicy 32.76%
    Dry 31.57%
    Fresh 29.83%
    Cooling 29.29%

     

    Flavor
    Green 52.06%
    Herbal 45.78%
    Woody 34.48%
    Citrus 32.07%
    Herb 29.65%
    Floral 29.4%
    Lavender 25.42%
    Bergamot 24.93%
    Fruity 24.74%
    Spicy 23.75%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.06 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    188°C

    Flash point

    • 61.41 ˚C est.

  • Synonyms

    • 2-Methylene-3,5,5-trimethylhexanal
    • 22414-70-6
    • EINECS 244-973-1
    • 3,5,5-trimethyl-2-methylidenehexanal
    • SCHEMBL3197355
    • DTXSID00945068
    • [rac]-2-Methylene-3,5,5-trimethylhexanal
    • NS00049535

  • Applications

    2-Methylene-3,5,5-trimethylhexanal is primarily used as a fragrance-related intermediate in the fragrance industry, where it can function as an odorant component or as a precursor to more complex aroma compounds; it may be evaluated for use in cosmetic and personal care fragrance formulations; in household products it can serve as a fragrance component or odorant additive; in industrial manufacturing it is employed as an intermediate in the synthesis of more complex aroma chemicals and specialty polymers, with formulation limits and local regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 173.26
    methanol 134.9
    isopropanol 209.63
    water 0.46
    ethyl acetate 516.88
    n-propanol 221.61
    acetone 376.54
    n-butanol 248.57
    acetonitrile 264.24
    DMF 339.28
    toluene 288.27
    isobutanol 220.14
    1,4-dioxane 430.84
    methyl acetate 450.15
    THF 1048.91
    2-butanone 495.22
    n-pentanol 153.1
    sec-butanol 265.81
    n-hexane 127.01
    ethylene glycol 40.26
    NMP 729.67
    cyclohexane 144.01
    DMSO 225.27
    n-butyl acetate 711.04
    n-octanol 253.6
    chloroform 994.0
    n-propyl acetate 348.41
    acetic acid 263.92
    dichloromethane 735.57
    cyclohexanone 787.11
    propylene glycol 104.99
    isopropyl acetate 417.78
    DMAc 410.5
    2-ethoxyethanol 166.63
    isopentanol 277.41
    n-heptane 128.97
    ethyl formate 248.0
    1,2-dichloroethane 483.32
    n-hexanol 518.5
    2-methoxyethanol 267.71
    isobutyl acetate 290.41
    tetrachloromethane 240.02
    n-pentyl acetate 331.73
    transcutol 903.34
    n-heptanol 225.12
    ethylbenzene 235.13
    MIBK 348.15
    2-propoxyethanol 549.76
    tert-butanol 387.49
    MTBE 469.95
    2-butoxyethanol 292.1
    propionic acid 306.93
    o-xylene 257.01
    formic acid 58.01
    diethyl ether 315.39
    m-xylene 306.68
    p-xylene 309.74
    chlorobenzene 412.56
    dimethyl carbonate 164.47
    n-octane 56.96
    formamide 66.12
    cyclopentanone 937.18
    2-pentanone 430.88
    anisole 348.57
    cyclopentyl methyl ether 597.32
    gamma-butyrolactone 939.52
    1-methoxy-2-propanol 313.09
    pyridine 403.53
    3-pentanone 371.54
    furfural 658.52
    n-dodecane 42.31
    diethylene glycol 256.47
    diisopropyl ether 206.1
    tert-amyl alcohol 371.21
    acetylacetone 502.1
    n-hexadecane 48.32
    acetophenone 356.29
    methyl propionate 385.85
    isopentyl acetate 712.81
    trichloroethylene 1117.16
    n-nonanol 222.41
    cyclohexanol 355.91
    benzyl alcohol 203.71
    2-ethylhexanol 396.35
    isooctanol 208.38
    dipropyl ether 367.29
    1,2-dichlorobenzene 459.61
    ethyl lactate 192.72
    propylene carbonate 678.19
    n-methylformamide 164.43
    2-pentanol 248.57
    n-pentane 91.01
    1-propoxy-2-propanol 521.25
    1-methoxy-2-propyl acetate 699.35
    2-(2-methoxypropoxy) propanol 390.9
    mesitylene 237.09
    ε-caprolactone 753.52
    p-cymene 260.87
    epichlorohydrin 872.36
    1,1,1-trichloroethane 911.01
    2-aminoethanol 95.85
    morpholine-4-carbaldehyde 528.61
    sulfolane 1057.49
    2,2,4-trimethylpentane 80.44
    2-methyltetrahydrofuran 855.39
    n-hexyl acetate 572.49
    isooctane 83.56
    2-(2-butoxyethoxy)ethanol 443.92
    sec-butyl acetate 316.01
    tert-butyl acetate 585.58
    decalin 115.73
    glycerin 127.82
    diglyme 636.98
    acrylic acid 229.17
    isopropyl myristate 261.89
    n-butyric acid 472.74
    acetyl acetate 374.48
    di(2-ethylhexyl) phthalate 225.64
    ethyl propionate 359.73
    nitromethane 395.46
    1,2-diethoxyethane 393.06
    benzonitrile 335.68
    trioctyl phosphate 182.14
    1-bromopropane 411.03
    gamma-valerolactone 876.43
    n-decanol 174.42
    triethyl phosphate 224.38
    4-methyl-2-pentanol 211.92
    propionitrile 293.24
    vinylene carbonate 477.0
    1,1,2-trichlorotrifluoroethane 532.82
    DMS 396.56
    cumene 205.51
    2-octanol 179.23
    2-hexanone 353.61
    octyl acetate 304.82
    limonene 394.89
    1,2-dimethoxyethane 344.0
    ethyl orthosilicate 211.73
    tributyl phosphate 236.92
    diacetone alcohol 496.15
    N,N-dimethylaniline 269.1
    acrylonitrile 294.04
    aniline 264.31
    1,3-propanediol 147.07
    bromobenzene 474.2
    dibromomethane 547.64
    1,1,2,2-tetrachloroethane 908.75
    2-methyl-cyclohexyl acetate 498.44
    tetrabutyl urea 265.02
    diisobutyl methanol 263.19
    2-phenylethanol 378.43
    styrene 228.82
    dioctyl adipate 345.15
    dimethyl sulfate 271.83
    ethyl butyrate 469.3
    methyl lactate 223.14
    butyl lactate 301.95
    diethyl carbonate 301.82
    propanediol butyl ether 315.42
    triethyl orthoformate 314.34
    p-tert-butyltoluene 285.12
    methyl 4-tert-butylbenzoate 434.85
    morpholine 467.87
    tert-butylamine 304.27
    n-dodecanol 138.5
    dimethoxymethane 264.49
    ethylene carbonate 395.26
    cyrene 348.2
    2-ethoxyethyl acetate 360.01
    2-ethylhexyl acetate 558.09
    1,2,4-trichlorobenzene 539.52
    4-methylpyridine 488.51
    dibutyl ether 326.93
    2,6-dimethyl-4-heptanol 263.19
    DEF 380.99
    dimethyl isosorbide 809.16
    tetrachloroethylene 521.92
    eugenol 355.05
    triacetin 438.22
    span 80 390.02
    1,4-butanediol 65.31
    1,1-dichloroethane 681.49
    2-methyl-1-pentanol 192.11
    methyl formate 169.2
    2-methyl-1-butanol 250.05
    n-decane 70.49
    butyronitrile 351.14
    3,7-dimethyl-1-octanol 319.0
    1-chlorooctane 247.6
    1-chlorotetradecane 109.08
    n-nonane 73.47
    undecane 53.11
    tert-butylcyclohexane 126.81
    cyclooctane 75.28
    cyclopentanol 383.0
    tetrahydropyran 590.12
    tert-amyl methyl ether 396.4
    2,5,8-trioxanonane 456.51
    1-hexene 272.84
    2-isopropoxyethanol 176.85
    2,2,2-trifluoroethanol 122.43
    methyl butyrate 422.9

    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