1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-ol

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  • Identifiers

    CAS number
    93840-90-5

    Molecular formula
    C14H24O

    SMILES
    CCC(/C=C/C1=C(CCCC1(C)C)C)O

  • Odor profile

    Fragrance
    Woody 66.79%
    Fruity 64.97%
    Berry 53.73%
    Sweet 45.55%
    Floral 44.33%
    Powdery 42.08%
    Violet 36.74%
    Raspberry 35.36%
    Amber 34.64%
    Tropical 34.45%

     

    Flavor
    Woody 79.51%
    Floral 78.42%
    Sweet 70.79%
    Herbal 53.74%
    Violet 48.18%
    Tropical 46.1%
    Balsam 40.25%
    Spicy 38.46%
    Citrus 37.22%
    Wood 35.83%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    10.24 (weak base)

    Molecular weight
    208.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    276°C

    Flash point

    • 124.59 ˚C est.

  • Synonyms

    • Methyl beta-ionol
    • EINECS 298-957-4
    • 93840-90-5
    • 1-Penten-3-ol, 1-(2,2,6-trimethylcyclohexyl)-, didehydro deriv.
    • 68259-41-6
    • 1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-ol
    • SCHEMBL3504278
    • DZSNHSUUMHDJRJ-CMDGGOBGSA-N
    • DTXSID701201430
    • 436099-48-8
    • (1E)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-1-penten-3-ol

  • Applications

    1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-ol (CAS 93840-90-5) is primarily used as a fragrance odorant in perfumery and is also employed as a fragrance ingredient in cosmetics and personal care products. It is commonly added to household products such as air fresheners and cleaners to impart distinctive aromatic notes, and it can function as an intermediate or building block in the synthesis of other aroma compounds in industrial fragrance development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2215.03
    methanol 1651.53
    isopropanol 1835.13
    water 0.25
    ethyl acetate 2487.47
    n-propanol 1947.55
    acetone 2098.7
    n-butanol 2002.5
    acetonitrile 1095.36
    DMF 1820.9
    toluene 1214.93
    isobutanol 1352.71
    1,4-dioxane 3467.48
    methyl acetate 1358.63
    THF 4943.67
    2-butanone 1877.46
    n-pentanol 824.96
    sec-butanol 1308.27
    n-hexane 282.69
    ethylene glycol 86.38
    NMP 1015.07
    cyclohexane 594.22
    DMSO 755.17
    n-butyl acetate 2025.82
    n-octanol 442.85
    chloroform 2289.82
    n-propyl acetate 919.45
    acetic acid 556.15
    dichloromethane 2286.4
    cyclohexanone 2041.05
    propylene glycol 187.78
    isopropyl acetate 1462.49
    DMAc 1064.07
    2-ethoxyethanol 802.27
    isopentanol 1573.19
    n-heptane 214.7
    ethyl formate 817.64
    1,2-dichloroethane 1625.16
    n-hexanol 1746.64
    2-methoxyethanol 1777.91
    isobutyl acetate 617.85
    tetrachloromethane 430.42
    n-pentyl acetate 746.42
    transcutol 4160.56
    n-heptanol 539.73
    ethylbenzene 354.36
    MIBK 1052.64
    2-propoxyethanol 1971.06
    tert-butanol 1914.93
    MTBE 3127.03
    2-butoxyethanol 806.24
    propionic acid 555.45
    o-xylene 439.72
    formic acid 126.52
    diethyl ether 4162.85
    m-xylene 664.62
    p-xylene 437.42
    chlorobenzene 897.16
    dimethyl carbonate 387.54
    n-octane 58.45
    formamide 245.37
    cyclopentanone 1986.06
    2-pentanone 2122.35
    anisole 657.47
    cyclopentyl methyl ether 2212.78
    gamma-butyrolactone 1676.5
    1-methoxy-2-propanol 1499.56
    pyridine 1760.01
    3-pentanone 1247.08
    furfural 975.85
    n-dodecane 34.77
    diethylene glycol 657.84
    diisopropyl ether 970.52
    tert-amyl alcohol 1281.62
    acetylacetone 1355.92
    n-hexadecane 42.18
    acetophenone 441.85
    methyl propionate 1419.42
    isopentyl acetate 1676.7
    trichloroethylene 2260.65
    n-nonanol 391.16
    cyclohexanol 1225.25
    benzyl alcohol 397.77
    2-ethylhexanol 840.67
    isooctanol 395.41
    dipropyl ether 1585.65
    1,2-dichlorobenzene 625.29
    ethyl lactate 218.96
    propylene carbonate 888.81
    n-methylformamide 705.37
    2-pentanol 1247.42
    n-pentane 384.28
    1-propoxy-2-propanol 1446.73
    1-methoxy-2-propyl acetate 1502.32
    2-(2-methoxypropoxy) propanol 592.6
    mesitylene 381.66
    ε-caprolactone 1606.82
    p-cymene 273.69
    epichlorohydrin 2238.07
    1,1,1-trichloroethane 1414.87
    2-aminoethanol 345.04
    morpholine-4-carbaldehyde 1493.99
    sulfolane 1081.59
    2,2,4-trimethylpentane 128.16
    2-methyltetrahydrofuran 3613.37
    n-hexyl acetate 1026.38
    isooctane 126.3
    2-(2-butoxyethoxy)ethanol 1011.06
    sec-butyl acetate 667.58
    tert-butyl acetate 1330.51
    decalin 142.85
    glycerin 221.98
    diglyme 1745.54
    acrylic acid 306.76
    isopropyl myristate 328.22
    n-butyric acid 1381.75
    acetyl acetate 846.97
    di(2-ethylhexyl) phthalate 253.54
    ethyl propionate 791.11
    nitromethane 899.8
    1,2-diethoxyethane 2242.36
    benzonitrile 593.52
    trioctyl phosphate 204.67
    1-bromopropane 1537.93
    gamma-valerolactone 2288.82
    n-decanol 260.36
    triethyl phosphate 276.66
    4-methyl-2-pentanol 633.08
    propionitrile 1271.38
    vinylene carbonate 771.19
    1,1,2-trichlorotrifluoroethane 743.38
    DMS 557.9
    cumene 220.58
    2-octanol 320.06
    2-hexanone 856.18
    octyl acetate 391.91
    limonene 499.67
    1,2-dimethoxyethane 1705.79
    ethyl orthosilicate 325.37
    tributyl phosphate 278.41
    diacetone alcohol 946.44
    N,N-dimethylaniline 389.8
    acrylonitrile 879.61
    aniline 920.67
    1,3-propanediol 807.64
    bromobenzene 1030.5
    dibromomethane 1646.84
    1,1,2,2-tetrachloroethane 1618.9
    2-methyl-cyclohexyl acetate 584.51
    tetrabutyl urea 304.62
    diisobutyl methanol 415.15
    2-phenylethanol 654.68
    styrene 443.71
    dioctyl adipate 383.74
    dimethyl sulfate 359.77
    ethyl butyrate 1024.28
    methyl lactate 293.1
    butyl lactate 420.72
    diethyl carbonate 520.25
    propanediol butyl ether 519.3
    triethyl orthoformate 655.35
    p-tert-butyltoluene 296.7
    methyl 4-tert-butylbenzoate 457.16
    morpholine 4119.36
    tert-butylamine 1558.35
    n-dodecanol 182.52
    dimethoxymethane 2233.25
    ethylene carbonate 773.77
    cyrene 371.94
    2-ethoxyethyl acetate 1021.22
    2-ethylhexyl acetate 1272.68
    1,2,4-trichlorobenzene 684.26
    4-methylpyridine 1923.59
    dibutyl ether 863.07
    2,6-dimethyl-4-heptanol 415.15
    DEF 1748.06
    dimethyl isosorbide 1025.7
    tetrachloroethylene 1092.69
    eugenol 391.73
    triacetin 553.56
    span 80 531.11
    1,4-butanediol 155.66
    1,1-dichloroethane 1692.74
    2-methyl-1-pentanol 709.46
    methyl formate 438.77
    2-methyl-1-butanol 1325.82
    n-decane 75.85
    butyronitrile 1721.41
    3,7-dimethyl-1-octanol 444.32
    1-chlorooctane 334.67
    1-chlorotetradecane 106.05
    n-nonane 77.23
    undecane 48.83
    tert-butylcyclohexane 142.76
    cyclooctane 181.77
    cyclopentanol 956.71
    tetrahydropyran 4888.64
    tert-amyl methyl ether 1439.7
    2,5,8-trioxanonane 952.77
    1-hexene 867.22
    2-isopropoxyethanol 589.98
    2,2,2-trifluoroethanol 130.24
    methyl butyrate 1010.14

    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