6,6-Dimethoxy-2,5,5-trimethylhex-2-ene

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  • Identifiers

    CAS number
    67674-46-8

    Molecular formula
    C11H22O2

    SMILES
    CC(=CCC(C)(C)C(OC)OC)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Green 72.59%
    Citrus 63.74%
    Fresh 56.68%
    Woody 55.91%
    Herbal 49.34%
    Lemon 42.34%
    Floral 39.67%
    Grapefruit 30.67%
    Leafy 29.53%
    Pine 29.5%

     

    Flavor
    Green 73.73%
    Fruity 48.02%
    Floral 42.07%
    Earthy 33.82%
    Herbal 33.58%
    Sweet 32.89%
    Tropical 32.08%
    Citrus 31.34%
    Woody 27.62%
    Rose 25.14%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.47 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 214.00 to 215.00 °C. @ 760.00 mm Hg

    Flash point

    • 64.3 ˚C est.

    Solubility expt.

    • 66 mg/L @ 20 °C (exp)

  • Synonyms

    • 67674-46-8
    • 6,6-Dimethoxy-2,5,5-trimethylhex-2-ene
    • METHYL PAMPLEMOUSSE
    • 1,1-Dimethoxy-2,2,5-trimethylhex-4-ene
    • 6,6-Dimethoxy-2,5,5-Trimethyl-2-Hexen
    • Methyl pamplemousee
    • 2-Hexene, 6,6-dimethoxy-2,5,5-trimethyl-
    • 6,6-DIMETHOXY-2,5,5-TRIMETHYL-2-HEXENE
    • EINECS 266-885-2
    • DTXSID2052366
    • Amarocite
    • grapefruit acetal
    • AH52EU7FVN
    • SCHEMBL274258
    • DTXCID2030938
    • CHEBI:179382
    • BCP18947
    • AKOS006275270
    • NS00012309
    • F71277
    • 6,6-Dimethoxy-2,5,5-trimethyl-2-hexene, 9CI
    • 266-885-2

  • Applications

    6,6-Dimethoxy-2,5,5-trimethylhex-2-ene (CAS 67674-46-8) is mainly used as an organic-synthesis intermediate. In fragrance chemistry it can serve as a precursor to aroma compounds through selective transformations; in polymer and resin development it can function as a building block or functional monomer for specialty materials; in coatings and inks it may act as a reactive intermediate or processing aid during formulation; it is also encountered as a derivatization building block in pharmaceutical and agrochemical research. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9950.99
    methanol 8153.52
    isopropanol 11371.18
    water 38.85
    ethyl acetate 12442.73
    n-propanol 10424.93
    acetone 10505.84
    n-butanol 11898.41
    acetonitrile 9724.4
    DMF 8212.75
    toluene 7281.81
    isobutanol 11017.4
    1,4-dioxane 12442.23
    methyl acetate 9687.75
    THF 10855.55
    2-butanone 9298.22
    n-pentanol 6489.16
    sec-butanol 12261.88
    n-hexane 4850.09
    ethylene glycol 1453.56
    NMP 4896.96
    cyclohexane 9423.92
    DMSO 3102.54
    n-butyl acetate 6339.73
    n-octanol 3776.87
    chloroform 24955.89
    n-propyl acetate 5844.62
    acetic acid 10822.75
    dichloromethane 15655.99
    cyclohexanone 12021.82
    propylene glycol 2192.97
    isopropyl acetate 9455.75
    DMAc 7019.17
    2-ethoxyethanol 7403.05
    isopentanol 11432.76
    n-heptane 2823.25
    ethyl formate 6484.82
    1,2-dichloroethane 9641.47
    n-hexanol 8525.2
    2-methoxyethanol 10490.62
    isobutyl acetate 3888.82
    tetrachloromethane 10379.86
    n-pentyl acetate 4747.72
    transcutol 8854.71
    n-heptanol 4372.15
    ethylbenzene 3599.51
    MIBK 6141.66
    2-propoxyethanol 7603.14
    tert-butanol 15019.56
    MTBE 18445.96
    2-butoxyethanol 5198.1
    propionic acid 6625.46
    o-xylene 4786.13
    formic acid 3297.03
    diethyl ether 17123.68
    m-xylene 4856.62
    p-xylene 5136.28
    chlorobenzene 4860.81
    dimethyl carbonate 2631.19
    n-octane 1069.2
    formamide 3549.58
    cyclopentanone 7397.72
    2-pentanone 9674.54
    anisole 3810.32
    cyclopentyl methyl ether 11749.54
    gamma-butyrolactone 6570.57
    1-methoxy-2-propanol 7694.6
    pyridine 7926.77
    3-pentanone 7614.51
    furfural 5833.6
    n-dodecane 418.03
    diethylene glycol 3446.64
    diisopropyl ether 6703.22
    tert-amyl alcohol 15178.0
    acetylacetone 6521.34
    n-hexadecane 487.33
    acetophenone 3018.33
    methyl propionate 7236.24
    isopentyl acetate 6053.56
    trichloroethylene 17934.72
    n-nonanol 2867.07
    cyclohexanol 13663.24
    benzyl alcohol 3228.17
    2-ethylhexanol 5301.6
    isooctanol 3419.21
    dipropyl ether 6030.11
    1,2-dichlorobenzene 3942.22
    ethyl lactate 1721.93
    propylene carbonate 4603.22
    n-methylformamide 5365.25
    2-pentanol 11015.84
    n-pentane 5575.88
    1-propoxy-2-propanol 5375.14
    1-methoxy-2-propyl acetate 4268.92
    2-(2-methoxypropoxy) propanol 1881.62
    mesitylene 3407.91
    ε-caprolactone 10036.41
    p-cymene 2190.72
    epichlorohydrin 9860.89
    1,1,1-trichloroethane 17429.46
    2-aminoethanol 3369.31
    morpholine-4-carbaldehyde 6821.89
    sulfolane 4539.89
    2,2,4-trimethylpentane 2468.98
    2-methyltetrahydrofuran 14000.81
    n-hexyl acetate 6359.88
    isooctane 1702.49
    2-(2-butoxyethoxy)ethanol 3107.77
    sec-butyl acetate 4742.89
    tert-butyl acetate 8458.35
    decalin 2388.57
    glycerin 2370.71
    diglyme 7110.74
    acrylic acid 4158.13
    isopropyl myristate 1479.03
    n-butyric acid 12625.22
    acetyl acetate 6694.59
    di(2-ethylhexyl) phthalate 1009.23
    ethyl propionate 5083.86
    nitromethane 12006.19
    1,2-diethoxyethane 5369.09
    benzonitrile 3878.67
    trioctyl phosphate 908.39
    1-bromopropane 9760.91
    gamma-valerolactone 9940.77
    n-decanol 1581.84
    triethyl phosphate 1447.9
    4-methyl-2-pentanol 5431.51
    propionitrile 7702.34
    vinylene carbonate 4304.69
    1,1,2-trichlorotrifluoroethane 7656.82
    DMS 2690.77
    cumene 2365.63
    2-octanol 3335.72
    2-hexanone 5253.16
    octyl acetate 1921.99
    limonene 3849.32
    1,2-dimethoxyethane 9880.86
    ethyl orthosilicate 1819.89
    tributyl phosphate 1116.42
    diacetone alcohol 5828.11
    N,N-dimethylaniline 2612.05
    acrylonitrile 6700.45
    aniline 5248.26
    1,3-propanediol 6352.23
    bromobenzene 5201.69
    dibromomethane 12168.91
    1,1,2,2-tetrachloroethane 15844.73
    2-methyl-cyclohexyl acetate 2668.08
    tetrabutyl urea 1199.22
    diisobutyl methanol 2454.63
    2-phenylethanol 3044.03
    styrene 3573.33
    dioctyl adipate 1524.4
    dimethyl sulfate 2534.44
    ethyl butyrate 4100.79
    methyl lactate 2202.75
    butyl lactate 2300.53
    diethyl carbonate 2288.42
    propanediol butyl ether 2904.6
    triethyl orthoformate 3004.5
    p-tert-butyltoluene 2255.59
    methyl 4-tert-butylbenzoate 2403.44
    morpholine 14583.94
    tert-butylamine 11701.33
    n-dodecanol 1052.95
    dimethoxymethane 7148.01
    ethylene carbonate 4540.33
    cyrene 1751.15
    2-ethoxyethyl acetate 4227.6
    2-ethylhexyl acetate 4943.5
    1,2,4-trichlorobenzene 4420.38
    4-methylpyridine 9663.51
    dibutyl ether 4446.71
    2,6-dimethyl-4-heptanol 2454.63
    DEF 10229.7
    dimethyl isosorbide 2670.43
    tetrachloroethylene 13337.5
    eugenol 1865.24
    triacetin 2823.68
    span 80 1823.66
    1,4-butanediol 2507.1
    1,1-dichloroethane 14741.67
    2-methyl-1-pentanol 6215.53
    methyl formate 4710.54
    2-methyl-1-butanol 11731.85
    n-decane 1042.88
    butyronitrile 9642.92
    3,7-dimethyl-1-octanol 2921.37
    1-chlorooctane 3099.05
    1-chlorotetradecane 777.22
    n-nonane 1211.79
    undecane 597.66
    tert-butylcyclohexane 2380.64
    cyclooctane 3550.62
    cyclopentanol 9137.06
    tetrahydropyran 18503.98
    tert-amyl methyl ether 13366.38
    2,5,8-trioxanonane 2842.34
    1-hexene 7719.5
    2-isopropoxyethanol 5368.78
    2,2,2-trifluoroethanol 4055.42
    methyl butyrate 6727.23

    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