4-(Isopropyl)cyclohexadieneethanol

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  • Identifiers

    CAS number
    93941-69-6

    Molecular formula
    C11H18O

    SMILES
    CC(C)C1=CC=C(CC1)CCO

    Safety labels

  • Odor profile

    Fragrance
    Floral 65.17%
    Herbal 51.83%
    Woody 45.49%
    Sweet 42.43%
    Fresh 41.75%
    Spicy 40.54%
    Rose 36.57%
    Balsamic 35.79%
    Citrus 34.56%
    Clean 31.82%

     

    Flavor
    Herbal 57.16%
    Woody 42.87%
    Spicy 40.13%
    Herb 34.46%
    Floral 32.84%
    Spice 32.65%
    Oily 31.44%
    Bitter 30.53%
    Green 29.54%
    Tropical 28.61%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    9.82 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    261°C

    Flash point

    • 112.86 ˚C est.

  • Synonyms

    • 4-(Isopropyl)cyclohexadieneethanol
    • 93941-69-6
    • EINECS 300-517-4
    • DTXSID00239919
    • RefChem:97478
    • DTXCID00162410
    • 300-517-4
    • 2-(4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethanol
    • SCHEMBL28054345
    • OFRCGWBLTNNKGZ-UHFFFAOYSA-N
    • NS00012726
    • 2-[4-(Propan-2-yl)cyclohexa-1,3-dien-1-yl]ethan-1-ol
    • 93941-69-6

  • Applications

    4-(Isopropyl)cyclohexadieneethanol (CAS 93941-69-6) is primarily used as an intermediate building block in fragrance and cosmetic chemistry, serving as a precursor for aroma compounds and cosmetic ingredients; it also serves as a reactive intermediate for polymer and coating formulations, enabling functionalization of specialty resins and inks through its cyclohexadiene moiety; it may be evaluated as a starting material in broader industrial manufacturing of specialty chemicals; and it is sometimes explored in research and development for new fragrance molecules and advanced polymeric materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1643.83
    methanol 1230.62
    isopropanol 1381.97
    water 0.34
    ethyl acetate 1160.41
    n-propanol 1501.67
    acetone 1204.71
    n-butanol 1368.19
    acetonitrile 931.04
    DMF 758.83
    toluene 529.11
    isobutanol 836.74
    1,4-dioxane 2125.93
    methyl acetate 839.15
    THF 1931.73
    2-butanone 1040.52
    n-pentanol 601.19
    sec-butanol 865.79
    n-hexane 144.13
    ethylene glycol 108.4
    NMP 345.07
    cyclohexane 269.98
    DMSO 721.38
    n-butyl acetate 649.53
    n-octanol 164.58
    chloroform 1445.52
    n-propyl acetate 434.68
    acetic acid 454.54
    dichloromethane 1066.4
    cyclohexanone 861.17
    propylene glycol 236.0
    isopropyl acetate 518.78
    DMAc 412.76
    2-ethoxyethanol 612.5
    isopentanol 839.26
    n-heptane 91.0
    ethyl formate 396.92
    1,2-dichloroethane 812.29
    n-hexanol 819.19
    2-methoxyethanol 1164.16
    isobutyl acetate 238.35
    tetrachloromethane 276.24
    n-pentyl acetate 247.54
    transcutol 2056.67
    n-heptanol 215.17
    ethylbenzene 151.06
    MIBK 373.37
    2-propoxyethanol 981.41
    tert-butanol 1413.88
    MTBE 1288.62
    2-butoxyethanol 377.59
    propionic acid 456.52
    o-xylene 196.76
    formic acid 109.19
    diethyl ether 1891.36
    m-xylene 269.06
    p-xylene 164.84
    chlorobenzene 379.45
    dimethyl carbonate 143.86
    n-octane 25.39
    formamide 192.42
    cyclopentanone 798.53
    2-pentanone 874.68
    anisole 312.95
    cyclopentyl methyl ether 789.5
    gamma-butyrolactone 681.17
    1-methoxy-2-propanol 828.27
    pyridine 1097.93
    3-pentanone 568.4
    furfural 537.71
    n-dodecane 15.16
    diethylene glycol 441.27
    diisopropyl ether 321.44
    tert-amyl alcohol 751.72
    acetylacetone 491.07
    n-hexadecane 17.99
    acetophenone 204.63
    methyl propionate 596.2
    isopentyl acetate 492.54
    trichloroethylene 1166.25
    n-nonanol 148.92
    cyclohexanol 682.1
    benzyl alcohol 250.43
    2-ethylhexanol 317.98
    isooctanol 161.07
    dipropyl ether 624.76
    1,2-dichlorobenzene 256.49
    ethyl lactate 122.42
    propylene carbonate 345.18
    n-methylformamide 424.09
    2-pentanol 730.83
    n-pentane 187.62
    1-propoxy-2-propanol 654.69
    1-methoxy-2-propyl acetate 529.2
    2-(2-methoxypropoxy) propanol 274.66
    mesitylene 152.32
    ε-caprolactone 651.23
    p-cymene 100.56
    epichlorohydrin 989.21
    1,1,1-trichloroethane 773.58
    2-aminoethanol 349.6
    morpholine-4-carbaldehyde 608.34
    sulfolane 518.12
    2,2,4-trimethylpentane 49.87
    2-methyltetrahydrofuran 1377.04
    n-hexyl acetate 303.17
    isooctane 51.22
    2-(2-butoxyethoxy)ethanol 459.63
    sec-butyl acetate 263.75
    tert-butyl acetate 473.02
    decalin 62.32
    glycerin 230.93
    diglyme 838.77
    acrylic acid 256.41
    isopropyl myristate 109.44
    n-butyric acid 864.24
    acetyl acetate 340.67
    di(2-ethylhexyl) phthalate 97.19
    ethyl propionate 327.35
    nitromethane 599.85
    1,2-diethoxyethane 917.86
    benzonitrile 331.84
    trioctyl phosphate 71.99
    1-bromopropane 779.06
    gamma-valerolactone 1011.4
    n-decanol 105.33
    triethyl phosphate 115.62
    4-methyl-2-pentanol 291.25
    propionitrile 856.55
    vinylene carbonate 316.48
    1,1,2-trichlorotrifluoroethane 509.15
    DMS 202.04
    cumene 93.71
    2-octanol 124.41
    2-hexanone 446.18
    octyl acetate 132.48
    limonene 172.21
    1,2-dimethoxyethane 991.34
    ethyl orthosilicate 134.5
    tributyl phosphate 93.89
    diacetone alcohol 419.15
    N,N-dimethylaniline 163.73
    acrylonitrile 657.07
    aniline 577.89
    1,3-propanediol 640.04
    bromobenzene 388.08
    dibromomethane 854.22
    1,1,2,2-tetrachloroethane 931.47
    2-methyl-cyclohexyl acetate 204.24
    tetrabutyl urea 104.22
    diisobutyl methanol 177.53
    2-phenylethanol 295.15
    styrene 208.84
    dioctyl adipate 142.46
    dimethyl sulfate 150.47
    ethyl butyrate 375.6
    methyl lactate 166.52
    butyl lactate 168.75
    diethyl carbonate 206.06
    propanediol butyl ether 260.8
    triethyl orthoformate 255.61
    p-tert-butyltoluene 109.29
    methyl 4-tert-butylbenzoate 178.55
    morpholine 2509.23
    tert-butylamine 1010.55
    n-dodecanol 79.51
    dimethoxymethane 769.59
    ethylene carbonate 314.6
    cyrene 171.97
    2-ethoxyethyl acetate 382.44
    2-ethylhexyl acetate 358.72
    1,2,4-trichlorobenzene 298.08
    4-methylpyridine 858.79
    dibutyl ether 311.93
    2,6-dimethyl-4-heptanol 177.53
    DEF 622.68
    dimethyl isosorbide 384.53
    tetrachloroethylene 635.34
    eugenol 173.48
    triacetin 228.71
    span 80 243.98
    1,4-butanediol 154.11
    1,1-dichloroethane 1030.0
    2-methyl-1-pentanol 354.53
    methyl formate 242.9
    2-methyl-1-butanol 707.55
    n-decane 29.94
    butyronitrile 909.93
    3,7-dimethyl-1-octanol 177.3
    1-chlorooctane 117.96
    1-chlorotetradecane 42.38
    n-nonane 30.16
    undecane 20.35
    tert-butylcyclohexane 57.36
    cyclooctane 70.38
    cyclopentanol 549.67
    tetrahydropyran 2431.09
    tert-amyl methyl ether 561.58
    2,5,8-trioxanonane 465.2
    1-hexene 441.18
    2-isopropoxyethanol 378.32
    2,2,2-trifluoroethanol 96.68
    methyl butyrate 409.68

    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