3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    63649-50-3

    Molecular formula
    C13H22O2

    SMILES
    CC1=CCC(C(C1)(C)C)C(C)OC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 84.41%
    Floral 79.26%
    Woody 70.11%
    Sweet 59.2%
    Herbal 57.77%
    Spicy 50.92%
    Berry 46.6%
    Rose 45.93%
    Citrus 37.17%
    Bergamot 35.4%

     

    Flavor
    Sweet 78.51%
    Herbal 64.17%
    Woody 61.75%
    Citrus 50.37%
    Tropical 43.39%
    Fruity 42.04%
    Lavender 41.14%
    Floral 39.45%
    Pine 37.29%
    Raspberry 34.09%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    8.45 (weak base)

    Molecular weight
    210.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    241°C

    Flash point

    • 111.48 ˚C est.

  • Synonyms

    • 63649-50-3
    • 1-(2,2,4-Trimethyl-4-cyclohexenyl)ethyl acetate
    • EINECS 264-380-1
    • DTXSID30886632
    • 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate
    • 3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, acetate
    • 3-Cyclohexene-1-methanol, .alpha.,4,6,6-tetramethyl-, 1-acetate
    • RefChem:93590
    • DTXCID401025956
    • 1-(4,6,6-trimethylcyclohex-3-en-1-yl)ethyl acetate
    • alpha,4,6,6-Tetramethylcyclohex-3-ene-1-methyl acetate
    • SCHEMBL11450753
    • 3-Cyclohexene-1-methanol, .alpha.,4,6,6-tetramethyl-, acetate
    • NS00123498
    • 1,5,5-trimethyl-4-(1 -acetoxyethyl)-cyclohex-1-ene
    • 63649-50-3

  • Applications

    3-Cyclohexene-1-methanol, alpha,4,6,6-tetramethyl-, 1-acetate (CAS 63649-50-3) is a specialty chemical intermediate and fragrance-related ester used in industry. In perfumery and cosmetics, it can function as an odorant or fragrance ingredient and as a precursor to more complex aroma compounds. In polymer and plastics chemistry, the cyclohexene double bond provides a site for functionalization or copolymerization, making it a useful reactive intermediate for specialty polymers and resins. In coatings and inks, it may act as a reactive diluent or resin-building block for UV-curable systems. In industrial manufacturing, it is evaluated as a building block for fragrance ester syntheses and other specialty chemicals, and as an intermediate in process chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 613.73
    methanol 885.72
    isopropanol 479.69
    water 2.65
    ethyl acetate 571.26
    n-propanol 473.99
    acetone 531.53
    n-butanol 444.15
    acetonitrile 594.43
    DMF 845.61
    toluene 485.61
    isobutanol 383.39
    1,4-dioxane 1453.41
    methyl acetate 498.33
    THF 1811.34
    2-butanone 445.01
    n-pentanol 278.61
    sec-butanol 385.01
    n-hexane 95.96
    ethylene glycol 98.06
    NMP 925.8
    cyclohexane 218.26
    DMSO 374.85
    n-butyl acetate 478.44
    n-octanol 276.76
    chloroform 1568.31
    n-propyl acetate 275.27
    acetic acid 505.62
    dichloromethane 1209.63
    cyclohexanone 901.91
    propylene glycol 200.7
    isopropyl acetate 367.54
    DMAc 604.61
    2-ethoxyethanol 282.08
    isopentanol 389.63
    n-heptane 79.91
    ethyl formate 367.45
    1,2-dichloroethane 604.03
    n-hexanol 640.48
    2-methoxyethanol 634.29
    isobutyl acetate 221.22
    tetrachloromethane 226.13
    n-pentyl acetate 291.61
    transcutol 1465.56
    n-heptanol 246.33
    ethylbenzene 213.48
    MIBK 288.03
    2-propoxyethanol 732.77
    tert-butanol 635.4
    MTBE 510.67
    2-butoxyethanol 330.53
    propionic acid 383.87
    o-xylene 280.55
    formic acid 200.6
    diethyl ether 522.31
    m-xylene 371.21
    p-xylene 278.42
    chlorobenzene 545.34
    dimethyl carbonate 210.21
    n-octane 29.56
    formamide 227.31
    cyclopentanone 904.34
    2-pentanone 411.53
    anisole 363.75
    cyclopentyl methyl ether 778.51
    gamma-butyrolactone 1142.53
    1-methoxy-2-propanol 540.82
    pyridine 707.19
    3-pentanone 327.18
    furfural 788.66
    n-dodecane 26.34
    diethylene glycol 446.88
    diisopropyl ether 197.7
    tert-amyl alcohol 463.03
    acetylacetone 462.96
    n-hexadecane 30.57
    acetophenone 304.06
    methyl propionate 425.59
    isopentyl acetate 421.55
    trichloroethylene 1175.51
    n-nonanol 234.86
    cyclohexanol 609.1
    benzyl alcohol 293.75
    2-ethylhexanol 311.6
    isooctanol 187.81
    dipropyl ether 314.51
    1,2-dichlorobenzene 435.86
    ethyl lactate 154.1
    propylene carbonate 642.83
    n-methylformamide 390.54
    2-pentanol 316.05
    n-pentane 94.04
    1-propoxy-2-propanol 500.97
    1-methoxy-2-propyl acetate 497.63
    2-(2-methoxypropoxy) propanol 370.46
    mesitylene 225.15
    ε-caprolactone 808.56
    p-cymene 166.46
    epichlorohydrin 1050.94
    1,1,1-trichloroethane 708.59
    2-aminoethanol 243.68
    morpholine-4-carbaldehyde 919.66
    sulfolane 836.1
    2,2,4-trimethylpentane 54.69
    2-methyltetrahydrofuran 1214.36
    n-hexyl acetate 509.61
    isooctane 44.25
    2-(2-butoxyethoxy)ethanol 507.74
    sec-butyl acetate 220.58
    tert-butyl acetate 413.49
    decalin 84.34
    glycerin 230.65
    diglyme 753.5
    acrylic acid 301.19
    isopropyl myristate 188.86
    n-butyric acid 526.65
    acetyl acetate 415.73
    di(2-ethylhexyl) phthalate 190.74
    ethyl propionate 274.49
    nitromethane 700.2
    1,2-diethoxyethane 460.68
    benzonitrile 442.79
    trioctyl phosphate 141.7
    1-bromopropane 444.84
    gamma-valerolactone 1143.27
    n-decanol 169.9
    triethyl phosphate 158.4
    4-methyl-2-pentanol 213.91
    propionitrile 456.24
    vinylene carbonate 585.84
    1,1,2-trichlorotrifluoroethane 575.4
    DMS 366.59
    cumene 151.79
    2-octanol 180.5
    2-hexanone 273.11
    octyl acetate 247.94
    limonene 246.75
    1,2-dimethoxyethane 565.73
    ethyl orthosilicate 159.07
    tributyl phosphate 170.38
    diacetone alcohol 404.62
    N,N-dimethylaniline 246.28
    acrylonitrile 457.15
    aniline 462.08
    1,3-propanediol 351.08
    bromobenzene 573.62
    dibromomethane 804.45
    1,1,2,2-tetrachloroethane 950.15
    2-methyl-cyclohexyl acetate 294.16
    tetrabutyl urea 203.76
    diisobutyl methanol 156.06
    2-phenylethanol 416.49
    styrene 232.3
    dioctyl adipate 245.69
    dimethyl sulfate 270.11
    ethyl butyrate 306.41
    methyl lactate 221.98
    butyl lactate 240.4
    diethyl carbonate 222.48
    propanediol butyl ether 374.17
    triethyl orthoformate 229.32
    p-tert-butyltoluene 168.89
    methyl 4-tert-butylbenzoate 328.86
    morpholine 1489.79
    tert-butylamine 471.5
    n-dodecanol 128.0
    dimethoxymethane 604.32
    ethylene carbonate 504.44
    cyrene 312.24
    2-ethoxyethyl acetate 378.1
    2-ethylhexyl acetate 349.77
    1,2,4-trichlorobenzene 511.66
    4-methylpyridine 851.26
    dibutyl ether 274.82
    2,6-dimethyl-4-heptanol 156.06
    DEF 453.41
    dimethyl isosorbide 668.92
    tetrachloroethylene 558.1
    eugenol 279.75
    triacetin 382.91
    span 80 364.02
    1,4-butanediol 119.82
    1,1-dichloroethane 710.53
    2-methyl-1-pentanol 270.23
    methyl formate 342.27
    2-methyl-1-butanol 371.18
    n-decane 45.88
    butyronitrile 516.89
    3,7-dimethyl-1-octanol 265.03
    1-chlorooctane 180.57
    1-chlorotetradecane 74.76
    n-nonane 45.36
    undecane 33.62
    tert-butylcyclohexane 77.98
    cyclooctane 70.07
    cyclopentanol 575.79
    tetrahydropyran 1265.05
    tert-amyl methyl ether 375.88
    2,5,8-trioxanonane 531.77
    1-hexene 247.0
    2-isopropoxyethanol 224.51
    2,2,2-trifluoroethanol 191.15
    methyl butyrate 327.59

    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