3-Buten-2-ol, 4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-

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  • Identifiers

    CAS number
    67923-53-9

    Molecular formula
    C13H22O

    SMILES
    CC1CC(=CC(C1C=CC(C)O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 63.77%
    Floral 58.45%
    Green 38.5%
    Herbal 33.78%
    Fresh 31.27%
    Spicy 28.59%
    Violet 28.56%
    Sandalwood 28.45%
    Natural 25.79%
    Muguet 25.06%

     

    Flavor
    Sweet 61.16%
    Woody 51.78%
    Herbal 48.16%
    Floral 46.81%
    Tropical 43.96%
    Spicy 37.09%
    Fruity 36.13%
    Herb 33.29%
    Spice 30.74%
    Fresh 28.98%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    10.02 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    257°C

    Flash point

    • 120.31 ˚C est.

  • Synonyms

    • 67923-53-9
    • 3-Buten-2-ol, 4-(2,4,6-trimethyl-3-cyclohexen-1-yl)-
    • SCHEMBL10379417
    • DTXSID10887041
    • WQTLBWPUJXRBIN-UHFFFAOYSA-N
    • NS00056352
    • 4-(2,4,6-trimethylcyclohex-3-en-1-yl)but-3-en-2-ol
    • 67923-53-9

  • Applications

    3-Buten-2-ol, 4-(2,4,6-trimethyl-3-cyclohexen-1-yl)- (CAS 67923-53-9) is typically used as an aroma chemical intermediate and odorant in fragrance development; it can serve as a fragrance ingredient in perfumery and cosmetics, and as a flavor-related intermediate in taste formulations; it functions as a reactive building block in the synthesis of terpenoid-like fragrance compounds; it is employed in household products and air fresheners as a scent additive; and may be utilized in coatings/inks and adhesives as an odorant component in industrial manufacturing, with use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1678.61
    methanol 1397.0
    isopropanol 1239.57
    water 0.4
    ethyl acetate 783.24
    n-propanol 1161.33
    acetone 1053.4
    n-butanol 1103.08
    acetonitrile 679.95
    DMF 596.87
    toluene 344.47
    isobutanol 716.63
    1,4-dioxane 1787.43
    methyl acetate 575.98
    THF 2874.85
    2-butanone 745.42
    n-pentanol 481.61
    sec-butanol 666.45
    n-hexane 99.79
    ethylene glycol 79.82
    NMP 382.88
    cyclohexane 186.14
    DMSO 563.26
    n-butyl acetate 750.34
    n-octanol 268.88
    chloroform 975.68
    n-propyl acetate 319.14
    acetic acid 400.89
    dichloromethane 900.35
    cyclohexanone 828.35
    propylene glycol 179.45
    isopropyl acetate 434.65
    DMAc 303.69
    2-ethoxyethanol 433.11
    isopentanol 725.2
    n-heptane 127.54
    ethyl formate 381.12
    1,2-dichloroethane 531.81
    n-hexanol 1042.77
    2-methoxyethanol 1006.02
    isobutyl acetate 222.32
    tetrachloromethane 168.0
    n-pentyl acetate 284.77
    transcutol 1601.68
    n-heptanol 306.95
    ethylbenzene 116.69
    MIBK 365.7
    2-propoxyethanol 1078.63
    tert-butanol 1098.95
    MTBE 954.81
    2-butoxyethanol 428.68
    propionic acid 321.31
    o-xylene 152.92
    formic acid 93.35
    diethyl ether 1268.1
    m-xylene 238.55
    p-xylene 134.9
    chlorobenzene 267.39
    dimethyl carbonate 117.7
    n-octane 35.55
    formamide 130.98
    cyclopentanone 967.61
    2-pentanone 766.84
    anisole 233.2
    cyclopentyl methyl ether 856.27
    gamma-butyrolactone 821.19
    1-methoxy-2-propanol 757.44
    pyridine 635.07
    3-pentanone 413.33
    furfural 437.13
    n-dodecane 24.75
    diethylene glycol 441.35
    diisopropyl ether 276.62
    tert-amyl alcohol 548.0
    acetylacetone 484.51
    n-hexadecane 28.36
    acetophenone 166.78
    methyl propionate 436.7
    isopentyl acetate 558.97
    trichloroethylene 750.18
    n-nonanol 219.39
    cyclohexanol 592.63
    benzyl alcohol 189.56
    2-ethylhexanol 427.51
    isooctanol 206.41
    dipropyl ether 630.25
    1,2-dichlorobenzene 183.29
    ethyl lactate 110.8
    propylene carbonate 369.0
    n-methylformamide 322.06
    2-pentanol 594.57
    n-pentane 141.66
    1-propoxy-2-propanol 763.24
    1-methoxy-2-propyl acetate 531.08
    2-(2-methoxypropoxy) propanol 281.48
    mesitylene 138.34
    ε-caprolactone 593.86
    p-cymene 120.96
    epichlorohydrin 977.47
    1,1,1-trichloroethane 478.42
    2-aminoethanol 270.15
    morpholine-4-carbaldehyde 549.03
    sulfolane 520.54
    2,2,4-trimethylpentane 50.56
    2-methyltetrahydrofuran 1667.23
    n-hexyl acetate 412.91
    isooctane 54.33
    2-(2-butoxyethoxy)ethanol 477.57
    sec-butyl acetate 205.67
    tert-butyl acetate 432.37
    decalin 52.07
    glycerin 177.07
    diglyme 733.29
    acrylic acid 173.32
    isopropyl myristate 143.36
    n-butyric acid 720.74
    acetyl acetate 295.29
    di(2-ethylhexyl) phthalate 127.72
    ethyl propionate 236.83
    nitromethane 534.74
    1,2-diethoxyethane 731.95
    benzonitrile 253.55
    trioctyl phosphate 109.56
    1-bromopropane 567.84
    gamma-valerolactone 973.46
    n-decanol 158.8
    triethyl phosphate 109.52
    4-methyl-2-pentanol 272.42
    propionitrile 559.37
    vinylene carbonate 292.35
    1,1,2-trichlorotrifluoroethane 367.19
    DMS 193.53
    cumene 86.24
    2-octanol 180.68
    2-hexanone 351.22
    octyl acetate 183.96
    limonene 226.83
    1,2-dimethoxyethane 744.0
    ethyl orthosilicate 123.34
    tributyl phosphate 122.51
    diacetone alcohol 393.74
    N,N-dimethylaniline 138.92
    acrylonitrile 391.77
    aniline 350.5
    1,3-propanediol 540.76
    bromobenzene 283.92
    dibromomethane 650.58
    1,1,2,2-tetrachloroethane 533.15
    2-methyl-cyclohexyl acetate 233.92
    tetrabutyl urea 138.83
    diisobutyl methanol 197.82
    2-phenylethanol 291.29
    styrene 136.46
    dioctyl adipate 166.6
    dimethyl sulfate 121.12
    ethyl butyrate 356.67
    methyl lactate 139.76
    butyl lactate 197.67
    diethyl carbonate 176.47
    propanediol butyl ether 335.57
    triethyl orthoformate 227.98
    p-tert-butyltoluene 129.85
    methyl 4-tert-butylbenzoate 187.86
    morpholine 1950.21
    tert-butylamine 745.5
    n-dodecanol 119.7
    dimethoxymethane 766.99
    ethylene carbonate 291.16
    cyrene 190.56
    2-ethoxyethyl acetate 369.66
    2-ethylhexyl acetate 412.02
    1,2,4-trichlorobenzene 215.33
    4-methylpyridine 602.71
    dibutyl ether 338.07
    2,6-dimethyl-4-heptanol 197.82
    DEF 466.69
    dimethyl isosorbide 433.98
    tetrachloroethylene 359.25
    eugenol 181.0
    triacetin 235.4
    span 80 284.06
    1,4-butanediol 125.25
    1,1-dichloroethane 650.91
    2-methyl-1-pentanol 327.21
    methyl formate 232.79
    2-methyl-1-butanol 566.41
    n-decane 48.76
    butyronitrile 763.69
    3,7-dimethyl-1-octanol 240.45
    1-chlorooctane 164.48
    1-chlorotetradecane 61.06
    n-nonane 50.5
    undecane 33.41
    tert-butylcyclohexane 56.9
    cyclooctane 63.88
    cyclopentanol 582.73
    tetrahydropyran 2121.85
    tert-amyl methyl ether 445.92
    2,5,8-trioxanonane 441.78
    1-hexene 301.87
    2-isopropoxyethanol 300.39
    2,2,2-trifluoroethanol 77.74
    methyl butyrate 316.94

    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