2-Hexene-1,4-diol, 4-ethyl-6-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, cyclized

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  • Identifiers

    CAS number
    90411-73-7

    Molecular formula
    C17H30O2

    SMILES
    CCC(CCC1C(=CCCC1(C)C)C)(/C=C/CO)O

  • Odor profile

    Fragrance
    Woody 75.4%
    Sweet 53.34%
    Amber 44.16%
    Sandalwood 43.12%
    Floral 41.16%
    Balsamic 41.15%
    Dry 37.5%
    Powdery 37.44%
    Musk 34.88%
    Cedar 28.99%

     

    Flavor
    Sweet 73.23%
    Woody 71.27%
    Floral 68.84%
    Herbal 46.54%
    Citrus 41.51%
    Tropical 40.81%
    Violet 37.75%
    Balsam 35.49%
    Flower 33.82%
    Green 33.59%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    9.59 (weak base)

    Molecular weight
    266.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    380°C

    Flash point

    • 175.33 ˚C est.

  • Synonyms

    • EINECS 302-404-5
    • 4-Ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol
    • 90411-73-7
    • EINECS 291-450-9
    • 94108-64-2
    • (E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol
    • 2-Hexene-1,4-diol, 4-ethyl-6-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
    • 2-Hexene-1,4-diol, 4-ethyl-6-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, cyclized
    • 2-Hexene-1,4-diol, 4-ethyl-6-(2,6,6-trimethyl-2-cyclohexen-1-yl)-,cyclized
    • 291-450-9

  • Applications

    2-Hexene-1,4-diol, 4-ethyl-6-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, cyclized (CAS 90411-73-7) can function as a fragrance material and fixative in perfumery and cosmetics, leveraging its terpenoid moiety to impart aroma characteristics. It may also be used as an intermediate for the synthesis of polyols, resins and specialty polymers, enabling downstream modifications in coatings, adhesives and plastics. The diol functionality allows it to act as a polyol crosslinker or reactive diluent in coatings, inks and high-performance adhesives, contributing to formulation flexibility. In household products, it may serve as a fragrance ingredient or odor modifier, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 548.84
    methanol 423.49
    isopropanol 335.3
    water 0.2
    ethyl acetate 496.42
    n-propanol 374.6
    acetone 257.23
    n-butanol 399.82
    acetonitrile 114.22
    DMF 321.95
    toluene 227.9
    isobutanol 215.82
    1,4-dioxane 720.1
    methyl acetate 229.44
    THF 1139.35
    2-butanone 287.88
    n-pentanol 165.17
    sec-butanol 219.74
    n-hexane 17.13
    ethylene glycol 17.2
    NMP 198.81
    cyclohexane 51.87
    DMSO 188.67
    n-butyl acetate 331.41
    n-octanol 84.01
    chloroform 424.26
    n-propyl acetate 189.95
    acetic acid 133.96
    dichloromethane 336.12
    cyclohexanone 346.69
    propylene glycol 42.22
    isopropyl acetate 320.7
    DMAc 311.43
    2-ethoxyethanol 258.14
    isopentanol 296.36
    n-heptane 18.78
    ethyl formate 136.11
    1,2-dichloroethane 235.79
    n-hexanol 290.96
    2-methoxyethanol 511.85
    isobutyl acetate 151.93
    tetrachloromethane 62.79
    n-pentyl acetate 152.35
    transcutol 1439.29
    n-heptanol 108.25
    ethylbenzene 77.74
    MIBK 232.76
    2-propoxyethanol 486.67
    tert-butanol 334.7
    MTBE 509.31
    2-butoxyethanol 235.81
    propionic acid 102.13
    o-xylene 106.4
    formic acid 47.0
    diethyl ether 686.08
    m-xylene 154.71
    p-xylene 88.62
    chlorobenzene 152.77
    dimethyl carbonate 92.86
    n-octane 6.29
    formamide 81.28
    cyclopentanone 318.4
    2-pentanone 357.81
    anisole 184.55
    cyclopentyl methyl ether 407.69
    gamma-butyrolactone 303.17
    1-methoxy-2-propanol 427.2
    pyridine 323.15
    3-pentanone 214.6
    furfural 241.46
    n-dodecane 4.54
    diethylene glycol 201.54
    diisopropyl ether 151.1
    tert-amyl alcohol 221.41
    acetylacetone 291.31
    n-hexadecane 5.32
    acetophenone 133.23
    methyl propionate 281.23
    isopentyl acetate 303.2
    trichloroethylene 391.08
    n-nonanol 83.07
    cyclohexanol 199.23
    benzyl alcohol 113.33
    2-ethylhexanol 141.23
    isooctanol 87.68
    dipropyl ether 253.03
    1,2-dichlorobenzene 138.2
    ethyl lactate 75.24
    propylene carbonate 189.98
    n-methylformamide 132.53
    2-pentanol 215.91
    n-pentane 27.91
    1-propoxy-2-propanol 338.23
    1-methoxy-2-propyl acetate 404.02
    2-(2-methoxypropoxy) propanol 226.27
    mesitylene 92.23
    ε-caprolactone 313.76
    p-cymene 61.95
    epichlorohydrin 451.49
    1,1,1-trichloroethane 210.29
    2-aminoethanol 81.82
    morpholine-4-carbaldehyde 382.56
    sulfolane 258.19
    2,2,4-trimethylpentane 17.29
    2-methyltetrahydrofuran 592.89
    n-hexyl acetate 200.49
    isooctane 16.19
    2-(2-butoxyethoxy)ethanol 365.71
    sec-butyl acetate 164.18
    tert-butyl acetate 322.9
    decalin 20.03
    glycerin 67.04
    diglyme 644.25
    acrylic acid 60.36
    isopropyl myristate 73.8
    n-butyric acid 307.28
    acetyl acetate 209.93
    di(2-ethylhexyl) phthalate 74.98
    ethyl propionate 170.99
    nitromethane 182.4
    1,2-diethoxyethane 471.84
    benzonitrile 116.43
    trioctyl phosphate 52.19
    1-bromopropane 204.05
    gamma-valerolactone 502.31
    n-decanol 55.27
    triethyl phosphate 89.79
    4-methyl-2-pentanol 134.71
    propionitrile 161.96
    vinylene carbonate 168.63
    1,1,2-trichlorotrifluoroethane 201.54
    DMS 143.27
    cumene 56.25
    2-octanol 57.95
    2-hexanone 157.5
    octyl acetate 90.14
    limonene 96.34
    1,2-dimethoxyethane 462.41
    ethyl orthosilicate 102.34
    tributyl phosphate 66.88
    diacetone alcohol 263.36
    N,N-dimethylaniline 122.37
    acrylonitrile 122.98
    aniline 191.48
    1,3-propanediol 208.41
    bromobenzene 165.73
    dibromomethane 234.28
    1,1,2,2-tetrachloroethane 324.81
    2-methyl-cyclohexyl acetate 163.54
    tetrabutyl urea 78.56
    diisobutyl methanol 84.88
    2-phenylethanol 172.23
    styrene 91.17
    dioctyl adipate 112.25
    dimethyl sulfate 107.41
    ethyl butyrate 221.12
    methyl lactate 96.64
    butyl lactate 121.18
    diethyl carbonate 128.41
    propanediol butyl ether 168.57
    triethyl orthoformate 175.29
    p-tert-butyltoluene 66.31
    methyl 4-tert-butylbenzoate 156.03
    morpholine 882.31
    tert-butylamine 220.33
    n-dodecanol 39.07
    dimethoxymethane 536.06
    ethylene carbonate 165.58
    cyrene 142.79
    2-ethoxyethyl acetate 261.46
    2-ethylhexyl acetate 231.07
    1,2,4-trichlorobenzene 157.96
    4-methylpyridine 303.66
    dibutyl ether 126.32
    2,6-dimethyl-4-heptanol 84.88
    DEF 287.19
    dimethyl isosorbide 368.45
    tetrachloroethylene 212.69
    eugenol 139.71
    triacetin 181.04
    span 80 176.12
    1,4-butanediol 41.98
    1,1-dichloroethane 230.08
    2-methyl-1-pentanol 142.87
    methyl formate 73.86
    2-methyl-1-butanol 234.07
    n-decane 9.49
    butyronitrile 225.54
    3,7-dimethyl-1-octanol 96.28
    1-chlorooctane 49.36
    1-chlorotetradecane 16.06
    n-nonane 8.33
    undecane 6.27
    tert-butylcyclohexane 20.45
    cyclooctane 17.74
    cyclopentanol 152.99
    tetrahydropyran 814.59
    tert-amyl methyl ether 263.17
    2,5,8-trioxanonane 383.4
    1-hexene 72.72
    2-isopropoxyethanol 186.43
    2,2,2-trifluoroethanol 36.26
    methyl butyrate 192.81

    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