6-(Dimethoxymethyl)-1,5,5-trimethylcyclohex-1-ene

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  • Identifiers

    CAS number
    64245-41-6

    Molecular formula
    C12H22O2

    SMILES
    CC1=CCCC(C1C(OC)OC)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 67.52%
    Herbal 63.48%
    Spicy 52.56%
    Green 47.42%
    Floral 44.32%
    Citrus 41.43%
    Fresh 39.61%
    Camphoreous 36.41%
    Earthy 35.94%
    Pine 34.44%

     

    Flavor
    Green 49.97%
    Herbal 48.72%
    Fruity 43.84%
    Woody 41.14%
    Sweet 39.24%
    Floral 37.49%
    Tropical 37.09%
    Citrus 35.51%
    Earthy 33.33%
    Bitter 28.0%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.12 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    232°C

    Flash point

    • 87.65 ˚C est.

  • Synonyms

    • 64245-41-6
    • SCHEMBL699338
    • 6-(Dimethoxymethyl)-1,5,5-trimethylcyclohex-1-ene
    • DTXSID20495292
    • 64245-41-6

  • Applications

    Chemical name: 6-(Dimethoxymethyl)-1,5,5-trimethylcyclohex-1-ene; CAS number: 64245-41-6. It is primarily handled as a specialty chemical used as an intermediate in organic synthesis and as a potential fragrance ingredient. In perfumery and cosmetics, it may be evaluated as an odorant precursor or fixed component, contributing to woody notes after derivatization. In industrial manufacturing, it can serve as a building block for specialty chemicals and as a source for cyclic aliphatic frameworks for further functionalization. It may also find use in coatings and inks as a raw material for aroma formulations or as a processing aid in fragrance-containing products. In polymer chemistry, it might be explored as a monomer or co-monomer for creating functionalized polymers, or as a precursor in the synthesis of specialized monomers. Its exact applications depend on regulatory acceptance and formulation requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 573.79
    methanol 489.93
    isopropanol 726.93
    water 4.57
    ethyl acetate 700.65
    n-propanol 698.03
    acetone 758.25
    n-butanol 648.64
    acetonitrile 762.58
    DMF 937.02
    toluene 716.8
    isobutanol 678.24
    1,4-dioxane 1425.97
    methyl acetate 667.36
    THF 1634.79
    2-butanone 707.93
    n-pentanol 411.44
    sec-butanol 753.82
    n-hexane 184.94
    ethylene glycol 205.08
    NMP 802.61
    cyclohexane 527.33
    DMSO 514.69
    n-butyl acetate 569.1
    n-octanol 467.87
    chloroform 3247.01
    n-propyl acetate 416.14
    acetic acid 676.76
    dichloromethane 2135.69
    cyclohexanone 1277.06
    propylene glycol 303.82
    isopropyl acetate 483.08
    DMAc 621.71
    2-ethoxyethanol 462.11
    isopentanol 512.03
    n-heptane 221.37
    ethyl formate 548.25
    1,2-dichloroethane 1137.08
    n-hexanol 719.58
    2-methoxyethanol 710.19
    isobutyl acetate 333.1
    tetrachloromethane 853.75
    n-pentyl acetate 451.99
    transcutol 671.75
    n-heptanol 429.27
    ethylbenzene 391.87
    MIBK 416.93
    2-propoxyethanol 683.96
    tert-butanol 905.97
    MTBE 730.07
    2-butoxyethanol 438.16
    propionic acid 606.25
    o-xylene 509.21
    formic acid 179.63
    diethyl ether 685.3
    m-xylene 563.42
    p-xylene 540.74
    chlorobenzene 824.27
    dimethyl carbonate 302.17
    n-octane 106.23
    formamide 212.05
    cyclopentanone 1222.53
    2-pentanone 614.71
    anisole 526.76
    cyclopentyl methyl ether 918.94
    gamma-butyrolactone 1245.4
    1-methoxy-2-propanol 658.71
    pyridine 1014.75
    3-pentanone 506.39
    furfural 942.32
    n-dodecane 88.41
    diethylene glycol 470.77
    diisopropyl ether 293.76
    tert-amyl alcohol 775.49
    acetylacetone 598.93
    n-hexadecane 101.24
    acetophenone 464.25
    methyl propionate 573.92
    isopentyl acetate 542.62
    trichloroethylene 2122.0
    n-nonanol 371.46
    cyclohexanol 1037.55
    benzyl alcohol 457.2
    2-ethylhexanol 485.43
    isooctanol 357.41
    dipropyl ether 439.36
    1,2-dichlorobenzene 781.75
    ethyl lactate 289.1
    propylene carbonate 912.98
    n-methylformamide 487.44
    2-pentanol 551.63
    n-pentane 234.93
    1-propoxy-2-propanol 556.2
    1-methoxy-2-propyl acetate 514.1
    2-(2-methoxypropoxy) propanol 348.88
    mesitylene 432.87
    ε-caprolactone 1008.75
    p-cymene 368.28
    epichlorohydrin 1267.58
    1,1,1-trichloroethane 1727.91
    2-aminoethanol 341.07
    morpholine-4-carbaldehyde 883.56
    sulfolane 1191.6
    2,2,4-trimethylpentane 141.38
    2-methyltetrahydrofuran 1270.4
    n-hexyl acetate 687.84
    isooctane 115.08
    2-(2-butoxyethoxy)ethanol 426.58
    sec-butyl acetate 318.58
    tert-butyl acetate 511.72
    decalin 210.27
    glycerin 348.3
    diglyme 767.96
    acrylic acid 499.81
    isopropyl myristate 287.42
    n-butyric acid 804.72
    acetyl acetate 489.56
    di(2-ethylhexyl) phthalate 243.14
    ethyl propionate 393.34
    nitromethane 822.96
    1,2-diethoxyethane 394.52
    benzonitrile 702.55
    trioctyl phosphate 218.44
    1-bromopropane 889.05
    gamma-valerolactone 1213.52
    n-decanol 274.51
    triethyl phosphate 247.08
    4-methyl-2-pentanol 313.09
    propionitrile 734.35
    vinylene carbonate 861.85
    1,1,2-trichlorotrifluoroethane 903.85
    DMS 425.2
    cumene 308.41
    2-octanol 362.94
    2-hexanone 420.71
    octyl acetate 362.2
    limonene 489.7
    1,2-dimethoxyethane 739.36
    ethyl orthosilicate 243.96
    tributyl phosphate 222.66
    diacetone alcohol 496.14
    N,N-dimethylaniline 365.38
    acrylonitrile 738.39
    aniline 621.19
    1,3-propanediol 456.78
    bromobenzene 939.05
    dibromomethane 1676.94
    1,1,2,2-tetrachloroethane 1934.04
    2-methyl-cyclohexyl acetate 394.09
    tetrabutyl urea 263.96
    diisobutyl methanol 285.87
    2-phenylethanol 491.41
    styrene 426.81
    dioctyl adipate 329.61
    dimethyl sulfate 436.49
    ethyl butyrate 421.51
    methyl lactate 358.72
    butyl lactate 340.94
    diethyl carbonate 311.39
    propanediol butyl ether 429.72
    triethyl orthoformate 339.52
    p-tert-butyltoluene 370.83
    methyl 4-tert-butylbenzoate 492.08
    morpholine 1367.79
    tert-butylamine 653.52
    n-dodecanol 219.42
    dimethoxymethane 645.44
    ethylene carbonate 730.8
    cyrene 379.64
    2-ethoxyethyl acetate 437.23
    2-ethylhexyl acetate 458.95
    1,2,4-trichlorobenzene 867.68
    4-methylpyridine 983.03
    dibutyl ether 379.89
    2,6-dimethyl-4-heptanol 285.87
    DEF 612.84
    dimethyl isosorbide 616.03
    tetrachloroethylene 1302.0
    eugenol 396.99
    triacetin 479.32
    span 80 393.05
    1,4-butanediol 249.84
    1,1-dichloroethane 1507.13
    2-methyl-1-pentanol 351.4
    methyl formate 479.06
    2-methyl-1-butanol 577.34
    n-decane 142.26
    butyronitrile 782.47
    3,7-dimethyl-1-octanol 383.73
    1-chlorooctane 421.75
    1-chlorotetradecane 170.04
    n-nonane 153.7
    undecane 107.2
    tert-butylcyclohexane 184.75
    cyclooctane 218.72
    cyclopentanol 1031.53
    tetrahydropyran 1519.54
    tert-amyl methyl ether 546.56
    2,5,8-trioxanonane 512.69
    1-hexene 369.17
    2-isopropoxyethanol 367.77
    2,2,2-trifluoroethanol 298.73
    methyl butyrate 490.17

    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