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

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  • Identifiers

    CAS number
    5208-93-5

    Molecular formula
    C15H24O

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Woody 84.36%
    Floral 51.59%
    Sweet 48.03%
    Berry 43.06%
    Fruity 39.75%
    Balsamic 39.0%
    Amber 37.7%
    Powdery 37.58%
    Violet 36.63%
    Dry 35.79%

     

    Flavor
    Woody 70.4%
    Sweet 62.43%
    Floral 50.68%
    Violet 39.21%
    Tropical 38.36%
    Herbal 37.69%
    Balsam 35.65%
    Wood 35.33%
    Citrus 33.06%
    Lavender 30.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    10.23 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    273°C

    Flash point

    • 128.17 ˚C est.

  • Synonyms

    • Vinyl-beta-ionol
    • 5208-93-5
    • 3-Methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol
    • 59057-30-6
    • EINECS 226-006-5
    • 1,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
    • EC 226-006-5
    • (1E)-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)penta-1,4-dien-3-ol
    • (1E)-3-Methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,4-pentadien-3-ol
    • DTXSID70884137
    • vinyl beta-ionol
    • EINECS 261-585-8
    • MFCD09751288
    • 7TK8YYR94S
    • SCHEMBL6896309
    • (E)-(+/-)-3-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol
    • DTXCID701023604
    • DTXSID601154701
    • AKOS016010348
    • (E)-(1)-3-Methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol
    • AS-10503
    • CS-0158042
    • NS00001018
    • E76086
    • (4E)-3-methyl-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol
    • (E)-3-methyl-1-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-ol
    • 1,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (1E)-
    • 3-Methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,4-pentadien-3-ol, (1E)-
    • 226-006-5

  • Applications

    1,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, CAS 5208-93-5 is typically regarded as a fragrance ingredient or intermediate in perfumery and aroma chemistry, used as a building block or reactive intermediate in the synthesis of aroma compounds. It may be evaluated for cosmetic/personal care formulations as a fragrance component or functional linker in formulations. In household cleaners and other consumer products, it can serve as a fragrance ingredient or aroma-related intermediate. In polymer and plastics applications, it can act as a precursor or reactive intermediate for specialty polymers with scent-related properties or as a platform to introduce terpenoid-like aroma features. It may also be explored for flavor or aroma release applications in food-related contexts, and generally its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 263.34
    methanol 225.34
    isopropanol 154.2
    water 0.11
    ethyl acetate 317.55
    n-propanol 204.83
    acetone 165.24
    n-butanol 238.84
    acetonitrile 100.57
    DMF 277.84
    toluene 287.19
    isobutanol 125.04
    1,4-dioxane 650.69
    methyl acetate 192.76
    THF 980.29
    2-butanone 244.51
    n-pentanol 137.94
    sec-butanol 153.43
    n-hexane 48.7
    ethylene glycol 12.74
    NMP 288.71
    cyclohexane 91.31
    DMSO 124.13
    n-butyl acetate 378.44
    n-octanol 122.29
    chloroform 432.22
    n-propyl acetate 174.09
    acetic acid 91.64
    dichloromethane 349.89
    cyclohexanone 342.49
    propylene glycol 33.21
    isopropyl acetate 236.23
    DMAc 310.91
    2-ethoxyethanol 164.07
    isopentanol 199.07
    n-heptane 51.74
    ethyl formate 111.79
    1,2-dichloroethane 212.39
    n-hexanol 315.77
    2-methoxyethanol 285.03
    isobutyl acetate 149.17
    tetrachloromethane 62.95
    n-pentyl acetate 179.9
    transcutol 1184.44
    n-heptanol 130.33
    ethylbenzene 126.24
    MIBK 188.92
    2-propoxyethanol 426.63
    tert-butanol 188.28
    MTBE 382.55
    2-butoxyethanol 206.68
    propionic acid 78.7
    o-xylene 137.95
    formic acid 32.19
    diethyl ether 480.42
    m-xylene 187.26
    p-xylene 153.57
    chlorobenzene 204.78
    dimethyl carbonate 74.78
    n-octane 14.79
    formamide 51.15
    cyclopentanone 332.0
    2-pentanone 253.24
    anisole 242.67
    cyclopentyl methyl ether 426.97
    gamma-butyrolactone 313.5
    1-methoxy-2-propanol 245.41
    pyridine 366.24
    3-pentanone 198.11
    furfural 255.83
    n-dodecane 11.51
    diethylene glycol 152.35
    diisopropyl ether 143.94
    tert-amyl alcohol 180.02
    acetylacetone 215.9
    n-hexadecane 13.6
    acetophenone 172.79
    methyl propionate 212.11
    isopentyl acetate 359.47
    trichloroethylene 370.73
    n-nonanol 121.21
    cyclohexanol 178.09
    benzyl alcohol 124.34
    2-ethylhexanol 202.9
    isooctanol 106.97
    dipropyl ether 317.96
    1,2-dichlorobenzene 168.37
    ethyl lactate 64.37
    propylene carbonate 196.88
    n-methylformamide 92.3
    2-pentanol 150.48
    n-pentane 49.37
    1-propoxy-2-propanol 316.68
    1-methoxy-2-propyl acetate 407.93
    2-(2-methoxypropoxy) propanol 263.25
    mesitylene 118.06
    ε-caprolactone 333.8
    p-cymene 103.64
    epichlorohydrin 415.68
    1,1,1-trichloroethane 202.73
    2-aminoethanol 56.0
    morpholine-4-carbaldehyde 424.35
    sulfolane 251.5
    2,2,4-trimethylpentane 30.29
    2-methyltetrahydrofuran 628.79
    n-hexyl acetate 284.45
    isooctane 26.47
    2-(2-butoxyethoxy)ethanol 344.21
    sec-butyl acetate 168.33
    tert-butyl acetate 271.89
    decalin 43.34
    glycerin 47.05
    diglyme 586.79
    acrylic acid 50.65
    isopropyl myristate 116.61
    n-butyric acid 189.5
    acetyl acetate 160.43
    di(2-ethylhexyl) phthalate 115.56
    ethyl propionate 164.38
    nitromethane 130.81
    1,2-diethoxyethane 482.51
    benzonitrile 148.09
    trioctyl phosphate 76.82
    1-bromopropane 219.06
    gamma-valerolactone 489.95
    n-decanol 86.08
    triethyl phosphate 112.44
    4-methyl-2-pentanol 112.33
    propionitrile 134.67
    vinylene carbonate 171.86
    1,1,2-trichlorotrifluoroethane 165.3
    DMS 174.4
    cumene 86.72
    2-octanol 77.22
    2-hexanone 183.29
    octyl acetate 142.55
    limonene 159.74
    1,2-dimethoxyethane 405.05
    ethyl orthosilicate 125.07
    tributyl phosphate 95.84
    diacetone alcohol 211.18
    N,N-dimethylaniline 170.48
    acrylonitrile 109.42
    aniline 199.14
    1,3-propanediol 111.47
    bromobenzene 227.11
    dibromomethane 251.2
    1,1,2,2-tetrachloroethane 314.99
    2-methyl-cyclohexyl acetate 235.07
    tetrabutyl urea 119.84
    diisobutyl methanol 108.25
    2-phenylethanol 214.41
    styrene 145.65
    dioctyl adipate 160.72
    dimethyl sulfate 87.18
    ethyl butyrate 237.98
    methyl lactate 73.56
    butyl lactate 122.56
    diethyl carbonate 148.48
    propanediol butyl ether 156.5
    triethyl orthoformate 204.54
    p-tert-butyltoluene 108.68
    methyl 4-tert-butylbenzoate 193.1
    morpholine 738.45
    tert-butylamine 158.25
    n-dodecanol 62.98
    dimethoxymethane 342.97
    ethylene carbonate 153.62
    cyrene 165.65
    2-ethoxyethyl acetate 259.83
    2-ethylhexyl acetate 315.04
    1,2,4-trichlorobenzene 207.95
    4-methylpyridine 401.47
    dibutyl ether 203.72
    2,6-dimethyl-4-heptanol 108.25
    DEF 288.51
    dimethyl isosorbide 474.3
    tetrachloroethylene 199.79
    eugenol 167.57
    triacetin 208.88
    span 80 224.75
    1,4-butanediol 28.64
    1,1-dichloroethane 212.37
    2-methyl-1-pentanol 143.41
    methyl formate 61.55
    2-methyl-1-butanol 169.2
    n-decane 22.27
    butyronitrile 194.57
    3,7-dimethyl-1-octanol 140.77
    1-chlorooctane 89.91
    1-chlorotetradecane 35.29
    n-nonane 20.44
    undecane 15.48
    tert-butylcyclohexane 43.26
    cyclooctane 36.45
    cyclopentanol 132.12
    tetrahydropyran 728.62
    tert-amyl methyl ether 281.76
    2,5,8-trioxanonane 393.82
    1-hexene 144.74
    2-isopropoxyethanol 133.44
    2,2,2-trifluoroethanol 22.95
    methyl butyrate 187.08

    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