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

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  • Identifiers

    CAS number
    51595-91-6

    Molecular formula
    C14H24O

    SMILES
    CC1=C(C(CCC1)(C)C)C=C(C)C(C)O

  • Odor profile

    Fragrance
    Woody 86.36%
    Powdery 52.41%
    Amber 49.93%
    Floral 49.22%
    Violet 47.3%
    Musk 45.61%
    Sandalwood 45.37%
    Orris 43.05%
    Dry 41.35%
    Berry 39.64%

     

    Flavor
    Woody 73.97%
    Floral 62.23%
    Sweet 53.31%
    Herbal 44.49%
    Wood 37.24%
    Violet 36.52%
    Tropical 35.4%
    Balsam 32.5%
    Flower 31.19%
    Citrus 30.22%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    10.27 (weak base)

    Molecular weight
    208.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point

    • 115.39 ˚C est.

  • Synonyms

    • 51595-91-6
    • iso-Methyl ionol alpha
    • 3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-ol
    • Methyl-beta-ionol
    • EINECS 257-310-6
    • DTXSID10885961
    • 3-Buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
    • RGCSRKQFSSXYRE-UHFFFAOYSA-N
    • DTXCID601025314
    • DB-241117
    • NS00056774
    • 257-310-6

  • Applications

    3-Buten-2-ol, 3-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)- (CAS 51595-91-6) is primarily encountered as a fragrance-related building block and odorant in perfumery and cosmetics, where it contributes to green, woody, and terpene-like notes; it is commonly evaluated as an intermediate in the synthesis of aroma compounds and may serve as a fixative or scent carrier due to its bulky terpenoid moiety; in addition to perfumery and personal care, it may be used as a scent ingredient in household products such as cleaners and air fresheners; in industrial manufacturing it can act as a specialty chemical precursor for fragrance formulations and fragrance-related polymers or coatings, subject to regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 411.32
    methanol 214.45
    isopropanol 508.8
    water 0.25
    ethyl acetate 488.74
    n-propanol 440.37
    acetone 558.75
    n-butanol 460.94
    acetonitrile 376.15
    DMF 563.02
    toluene 405.57
    isobutanol 382.93
    1,4-dioxane 989.31
    methyl acetate 459.3
    THF 1595.96
    2-butanone 637.84
    n-pentanol 256.28
    sec-butanol 430.27
    n-hexane 90.91
    ethylene glycol 33.12
    NMP 414.15
    cyclohexane 158.25
    DMSO 278.09
    n-butyl acetate 571.42
    n-octanol 264.33
    chloroform 1033.59
    n-propyl acetate 275.24
    acetic acid 145.56
    dichloromethane 822.56
    cyclohexanone 717.98
    propylene glycol 108.79
    isopropyl acetate 346.73
    DMAc 457.55
    2-ethoxyethanol 242.91
    isopentanol 429.7
    n-heptane 110.21
    ethyl formate 254.56
    1,2-dichloroethane 463.19
    n-hexanol 553.57
    2-methoxyethanol 420.06
    isobutyl acetate 226.93
    tetrachloromethane 198.27
    n-pentyl acetate 306.32
    transcutol 920.47
    n-heptanol 274.08
    ethylbenzene 222.52
    MIBK 326.2
    2-propoxyethanol 539.5
    tert-butanol 727.74
    MTBE 760.44
    2-butoxyethanol 329.49
    propionic acid 191.41
    o-xylene 248.8
    formic acid 26.82
    diethyl ether 610.71
    m-xylene 302.35
    p-xylene 284.31
    chlorobenzene 347.89
    dimethyl carbonate 132.37
    n-octane 45.28
    formamide 60.88
    cyclopentanone 849.46
    2-pentanone 512.32
    anisole 357.0
    cyclopentyl methyl ether 608.04
    gamma-butyrolactone 694.13
    1-methoxy-2-propanol 457.02
    pyridine 575.14
    3-pentanone 345.06
    furfural 435.49
    n-dodecane 34.4
    diethylene glycol 227.46
    diisopropyl ether 221.04
    tert-amyl alcohol 506.58
    acetylacetone 413.01
    n-hexadecane 40.01
    acetophenone 272.94
    methyl propionate 339.36
    isopentyl acetate 497.05
    trichloroethylene 805.54
    n-nonanol 225.89
    cyclohexanol 381.49
    benzyl alcohol 235.4
    2-ethylhexanol 342.65
    isooctanol 218.56
    dipropyl ether 434.96
    1,2-dichlorobenzene 286.4
    ethyl lactate 119.36
    propylene carbonate 385.66
    n-methylformamide 178.85
    2-pentanol 342.57
    n-pentane 101.0
    1-propoxy-2-propanol 493.24
    1-methoxy-2-propyl acetate 433.7
    2-(2-methoxypropoxy) propanol 313.56
    mesitylene 196.43
    ε-caprolactone 554.2
    p-cymene 197.79
    epichlorohydrin 754.52
    1,1,1-trichloroethane 589.55
    2-aminoethanol 113.81
    morpholine-4-carbaldehyde 542.57
    sulfolane 523.6
    2,2,4-trimethylpentane 59.41
    2-methyltetrahydrofuran 1049.38
    n-hexyl acetate 440.62
    isooctane 53.71
    2-(2-butoxyethoxy)ethanol 409.94
    sec-butyl acetate 220.8
    tert-butyl acetate 409.95
    decalin 77.88
    glycerin 103.72
    diglyme 631.16
    acrylic acid 119.44
    isopropyl myristate 206.63
    n-butyric acid 365.92
    acetyl acetate 236.79
    di(2-ethylhexyl) phthalate 172.14
    ethyl propionate 242.78
    nitromethane 284.87
    1,2-diethoxyethane 483.77
    benzonitrile 301.39
    trioctyl phosphate 143.28
    1-bromopropane 493.89
    gamma-valerolactone 833.03
    n-decanol 173.55
    triethyl phosphate 143.41
    4-methyl-2-pentanol 222.66
    propionitrile 411.45
    vinylene carbonate 327.91
    1,1,2-trichlorotrifluoroethane 323.47
    DMS 247.42
    cumene 165.55
    2-octanol 198.89
    2-hexanone 310.09
    octyl acetate 244.33
    limonene 274.25
    1,2-dimethoxyethane 532.06
    ethyl orthosilicate 151.72
    tributyl phosphate 153.19
    diacetone alcohol 374.14
    N,N-dimethylaniline 246.59
    acrylonitrile 318.05
    aniline 347.58
    1,3-propanediol 213.99
    bromobenzene 418.28
    dibromomethane 630.73
    1,1,2,2-tetrachloroethane 626.62
    2-methyl-cyclohexyl acetate 296.28
    tetrabutyl urea 190.15
    diisobutyl methanol 208.15
    2-phenylethanol 316.88
    styrene 237.53
    dioctyl adipate 229.19
    dimethyl sulfate 161.27
    ethyl butyrate 343.48
    methyl lactate 133.79
    butyl lactate 228.48
    diethyl carbonate 201.28
    propanediol butyl ether 304.31
    triethyl orthoformate 235.48
    p-tert-butyltoluene 215.83
    methyl 4-tert-butylbenzoate 311.33
    morpholine 1012.19
    tert-butylamine 553.06
    n-dodecanol 139.09
    dimethoxymethane 453.6
    ethylene carbonate 292.73
    cyrene 257.44
    2-ethoxyethyl acetate 346.94
    2-ethylhexyl acetate 406.47
    1,2,4-trichlorobenzene 337.62
    4-methylpyridine 623.59
    dibutyl ether 334.41
    2,6-dimethyl-4-heptanol 208.15
    DEF 394.58
    dimethyl isosorbide 518.55
    tetrachloroethylene 363.19
    eugenol 251.02
    triacetin 302.79
    span 80 321.42
    1,4-butanediol 70.4
    1,1-dichloroethane 636.65
    2-methyl-1-pentanol 253.03
    methyl formate 145.92
    2-methyl-1-butanol 367.94
    n-decane 63.01
    butyronitrile 498.32
    3,7-dimethyl-1-octanol 264.32
    1-chlorooctane 200.3
    1-chlorotetradecane 85.01
    n-nonane 61.86
    undecane 44.98
    tert-butylcyclohexane 83.95
    cyclooctane 63.84
    cyclopentanol 388.25
    tetrahydropyran 1154.91
    tert-amyl methyl ether 438.58
    2,5,8-trioxanonane 430.34
    1-hexene 285.14
    2-isopropoxyethanol 223.52
    2,2,2-trifluoroethanol 49.57
    methyl butyrate 302.77

    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