3-Cyclohexene-1-methanol, 4,6-dimethyl-alpha-2-propen-1-yl-

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  • Identifiers

    CAS number
    71477-77-5

    Molecular formula
    C12H20O

    SMILES
    C[C@@H]1CC(=CC[C@H]1[C@@H](CC=C)O)C

    Safety labels

  • Odor profile

    Fragrance
    Green 83.47%
    Floral 67.09%
    Herbal 60.52%
    Fruity 60.12%
    Earthy 37.32%
    Leafy 37.0%
    Fresh 35.5%
    Woody 32.01%
    Jasmin 30.3%
    Natural 30.28%

     

    Flavor
    Herbal 44.12%
    Woody 36.78%
    Minty 36.32%
    Spicy 34.66%
    Floral 34.12%
    Sweet 33.54%
    Tropical 33.38%
    Mint 30.61%
    Herb 30.48%
    Spice 30.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    9.08 (weak base)

    Molecular weight
    180.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    246°C

    Flash point

    • 107.56 ˚C est.

  • Synonyms

    • 3-Cyclohexene-1-methanol, 4,6-dimethyl-alpha-2-propenyl-
    • 71477-77-5
    • 4,6-Dimethyl-alpha-(2-propenyl)-3-cyclohexene-1-methanol
    • 3-Cyclohexene-1-methanol, 4,6-dimethyl-alpha-2-propen-1-yl-
    • RefChem:278769
    • 3-Cyclohexene-1-methanol, 4,6-dimethyl-.alpha.-2-propen-1-yl-
    • 71477-77-5

  • Applications

    For 3-Cyclohexene-1-methanol, 4,6-dimethyl-alpha-2-propen-1-yl- (71477-77-5), the compound is primarily used as an intermediate in fragrance and flavor chemistry, serving as a building block for aroma compounds and as a potential fixative in perfumery. It may be evaluated for use in cosmetics and personal care formulations as a fragrance ingredient or scent modifier. In household products, it can function as a fragrance component in cleaners and detergents. In industrial manufacturing and materials applications, it may serve as a precursor for terpene-derived materials and as a reactive intermediate in certain polymer or resin formulations. It can also find use in coatings or inks where specific odor profiles are desired, subject to formulation constraints and regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1393.6
    methanol 990.53
    isopropanol 1397.92
    water 0.31
    ethyl acetate 733.37
    n-propanol 1064.23
    acetone 883.25
    n-butanol 1050.06
    acetonitrile 806.76
    DMF 440.48
    toluene 315.38
    isobutanol 728.32
    1,4-dioxane 1572.2
    methyl acetate 555.18
    THF 2510.67
    2-butanone 751.2
    n-pentanol 505.05
    sec-butanol 723.74
    n-hexane 124.66
    ethylene glycol 47.8
    NMP 305.99
    cyclohexane 241.62
    DMSO 503.3
    n-butyl acetate 786.69
    n-octanol 276.67
    chloroform 1130.18
    n-propyl acetate 377.44
    acetic acid 375.6
    dichloromethane 920.34
    cyclohexanone 846.53
    propylene glycol 121.28
    isopropyl acetate 402.51
    DMAc 251.82
    2-ethoxyethanol 371.41
    isopentanol 733.98
    n-heptane 142.85
    ethyl formate 371.24
    1,2-dichloroethane 524.08
    n-hexanol 961.94
    2-methoxyethanol 739.49
    isobutyl acetate 245.28
    tetrachloromethane 164.87
    n-pentyl acetate 287.43
    transcutol 1629.96
    n-heptanol 288.59
    ethylbenzene 126.7
    MIBK 380.26
    2-propoxyethanol 833.56
    tert-butanol 1110.05
    MTBE 964.21
    2-butoxyethanol 370.56
    propionic acid 311.79
    o-xylene 152.66
    formic acid 71.46
    diethyl ether 1303.74
    m-xylene 218.0
    p-xylene 152.37
    chlorobenzene 310.0
    dimethyl carbonate 94.55
    n-octane 40.61
    formamide 103.84
    cyclopentanone 828.5
    2-pentanone 692.53
    anisole 226.24
    cyclopentyl methyl ether 723.26
    gamma-butyrolactone 725.42
    1-methoxy-2-propanol 603.93
    pyridine 660.59
    3-pentanone 365.08
    furfural 439.56
    n-dodecane 27.3
    diethylene glycol 328.3
    diisopropyl ether 303.27
    tert-amyl alcohol 575.76
    acetylacetone 399.91
    n-hexadecane 31.33
    acetophenone 172.9
    methyl propionate 368.69
    isopentyl acetate 614.51
    trichloroethylene 808.48
    n-nonanol 222.18
    cyclohexanol 600.22
    benzyl alcohol 189.35
    2-ethylhexanol 422.48
    isooctanol 211.21
    dipropyl ether 632.58
    1,2-dichlorobenzene 207.08
    ethyl lactate 110.31
    propylene carbonate 393.61
    n-methylformamide 243.82
    2-pentanol 638.36
    n-pentane 172.23
    1-propoxy-2-propanol 632.62
    1-methoxy-2-propyl acetate 456.03
    2-(2-methoxypropoxy) propanol 289.19
    mesitylene 141.84
    ε-caprolactone 608.26
    p-cymene 127.03
    epichlorohydrin 863.24
    1,1,1-trichloroethane 508.26
    2-aminoethanol 171.69
    morpholine-4-carbaldehyde 451.51
    sulfolane 491.3
    2,2,4-trimethylpentane 54.62
    2-methyltetrahydrofuran 1498.39
    n-hexyl acetate 405.77
    isooctane 65.92
    2-(2-butoxyethoxy)ethanol 477.14
    sec-butyl acetate 229.3
    tert-butyl acetate 400.77
    decalin 63.88
    glycerin 138.96
    diglyme 748.79
    acrylic acid 167.19
    isopropyl myristate 151.24
    n-butyric acid 748.79
    acetyl acetate 258.47
    di(2-ethylhexyl) phthalate 121.89
    ethyl propionate 250.28
    nitromethane 475.75
    1,2-diethoxyethane 760.14
    benzonitrile 291.35
    trioctyl phosphate 102.71
    1-bromopropane 608.41
    gamma-valerolactone 844.63
    n-decanol 157.15
    triethyl phosphate 112.95
    4-methyl-2-pentanol 313.56
    propionitrile 610.73
    vinylene carbonate 311.82
    1,1,2-trichlorotrifluoroethane 326.57
    DMS 183.65
    cumene 92.73
    2-octanol 179.94
    2-hexanone 409.09
    octyl acetate 182.03
    limonene 224.01
    1,2-dimethoxyethane 739.53
    ethyl orthosilicate 125.36
    tributyl phosphate 123.43
    diacetone alcohol 360.5
    N,N-dimethylaniline 136.23
    acrylonitrile 412.38
    aniline 314.61
    1,3-propanediol 412.07
    bromobenzene 313.02
    dibromomethane 706.7
    1,1,2,2-tetrachloroethane 578.28
    2-methyl-cyclohexyl acetate 248.71
    tetrabutyl urea 139.95
    diisobutyl methanol 228.87
    2-phenylethanol 274.48
    styrene 154.98
    dioctyl adipate 173.93
    dimethyl sulfate 100.19
    ethyl butyrate 395.7
    methyl lactate 120.9
    butyl lactate 195.58
    diethyl carbonate 199.18
    propanediol butyl ether 297.51
    triethyl orthoformate 243.62
    p-tert-butyltoluene 128.78
    methyl 4-tert-butylbenzoate 193.27
    morpholine 1636.37
    tert-butylamine 798.84
    n-dodecanol 119.75
    dimethoxymethane 545.18
    ethylene carbonate 313.16
    cyrene 183.18
    2-ethoxyethyl acetate 333.83
    2-ethylhexyl acetate 434.99
    1,2,4-trichlorobenzene 233.34
    4-methylpyridine 610.21
    dibutyl ether 408.32
    2,6-dimethyl-4-heptanol 228.87
    DEF 413.5
    dimethyl isosorbide 425.8
    tetrachloroethylene 370.68
    eugenol 175.59
    triacetin 239.61
    span 80 285.91
    1,4-butanediol 103.54
    1,1-dichloroethane 754.52
    2-methyl-1-pentanol 362.0
    methyl formate 175.25
    2-methyl-1-butanol 588.91
    n-decane 53.81
    butyronitrile 854.51
    3,7-dimethyl-1-octanol 264.34
    1-chlorooctane 173.42
    1-chlorotetradecane 62.28
    n-nonane 56.11
    undecane 36.71
    tert-butylcyclohexane 65.31
    cyclooctane 75.2
    cyclopentanol 541.98
    tetrahydropyran 2057.86
    tert-amyl methyl ether 421.13
    2,5,8-trioxanonane 439.49
    1-hexene 379.74
    2-isopropoxyethanol 272.18
    2,2,2-trifluoroethanol 73.7
    methyl butyrate 358.15

    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