Cyclohexane, 1-ethenyl-1-methyl-2-(1-methylethenyl)-4-(1-methylethyl)-, didehydro deriv.

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  • Identifiers

    CAS number
    68845-33-0

    Molecular formula
    C15H24

    SMILES
    CC(C)C1CC(C(C=C1)(C)C=C)C(=C)C

    Safety labels

    Health Hazard
    Health

  • Odor profile

    Fragrance
    Herbal 77.38%
    Woody 76.79%
    Citrus 61.3%
    Green 59.73%
    Spicy 58.88%
    Terpenic 57.81%
    Fresh 53.55%
    Sweet 51.43%
    Pine 49.41%
    Mint 44.5%

     

    Flavor
    Woody 63.5%
    Herbal 56.23%
    Wood 52.41%
    Herb 48.79%
    Spice 42.23%
    Terpene 40.34%
    Fresh 39.99%
    Green 39.0%
    Citrus 38.69%
    Turpentine 28.89%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    8.79 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    229°C

    Flash point

    • 104.06 ˚C est.

  • Synonyms

    • Cyclohexane, 1-ethenyl-1-methyl-2-(1-methylethenyl)-4-(1-methylethyl)-, didehydro deriv.
    • 68845-33-0
    • EINECS 272-459-7
    • DTXSID4052423
    • DTXCID1030995
    • XVRFIWWOQCZTPI-UHFFFAOYSA-N
    • 2-Isopropenyl-4-isopropyl-1-methyl-1-vinylcyclohexane, didehydro derivative
    • AKOS030239993
    • NS00019747

  • Applications

    For the chemical Cyclohexane, 1-ethenyl-1-methyl-2-(1-methylethenyl)-4-(1-methylethyl)-, didehydro deriv. (CAS 68845-33-0), typical applications include use as a fragrance ingredient and potential fixative in perfumery; evaluated for fragrance use in consumer cosmetics and personal care; used in household products to impart odor; may serve as an intermediate in industrial fragrance synthesis; may be used as an odorant additive in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 192.91
    methanol 75.44
    isopropanol 215.85
    water 0.03
    ethyl acetate 379.57
    n-propanol 215.42
    acetone 275.0
    n-butanol 283.44
    acetonitrile 127.36
    DMF 205.79
    toluene 634.42
    isobutanol 187.0
    1,4-dioxane 743.88
    methyl acetate 225.99
    THF 1635.96
    2-butanone 396.42
    n-pentanol 174.9
    sec-butanol 232.51
    n-hexane 255.45
    ethylene glycol 6.29
    NMP 245.41
    cyclohexane 424.71
    DMSO 136.4
    n-butyl acetate 818.88
    n-octanol 229.16
    chloroform 635.35
    n-propyl acetate 235.68
    acetic acid 60.27
    dichloromethane 544.33
    cyclohexanone 604.18
    propylene glycol 23.13
    isopropyl acetate 339.67
    DMAc 240.62
    2-ethoxyethanol 109.61
    isopentanol 292.42
    n-heptane 374.32
    ethyl formate 124.59
    1,2-dichloroethane 371.5
    n-hexanol 538.34
    2-methoxyethanol 163.24
    isobutyl acetate 230.16
    tetrachloromethane 173.12
    n-pentyl acetate 305.16
    transcutol 749.31
    n-heptanol 217.77
    ethylbenzene 267.5
    MIBK 322.75
    2-propoxyethanol 372.29
    tert-butanol 346.0
    MTBE 721.07
    2-butoxyethanol 215.32
    propionic acid 71.86
    o-xylene 289.48
    formic acid 6.88
    diethyl ether 732.83
    m-xylene 416.4
    p-xylene 308.56
    chlorobenzene 370.61
    dimethyl carbonate 71.19
    n-octane 90.86
    formamide 14.91
    cyclopentanone 606.06
    2-pentanone 435.01
    anisole 332.95
    cyclopentyl methyl ether 740.27
    gamma-butyrolactone 370.37
    1-methoxy-2-propanol 208.99
    pyridine 547.57
    3-pentanone 316.29
    furfural 237.5
    n-dodecane 51.01
    diethylene glycol 94.62
    diisopropyl ether 315.39
    tert-amyl alcohol 302.43
    acetylacetone 300.24
    n-hexadecane 60.14
    acetophenone 238.98
    methyl propionate 220.74
    isopentyl acetate 681.57
    trichloroethylene 546.88
    n-nonanol 213.63
    cyclohexanol 345.03
    benzyl alcohol 148.48
    2-ethylhexanol 464.58
    isooctanol 196.09
    dipropyl ether 848.57
    1,2-dichlorobenzene 280.23
    ethyl lactate 65.45
    propylene carbonate 252.87
    n-methylformamide 53.73
    2-pentanol 261.14
    n-pentane 245.6
    1-propoxy-2-propanol 415.37
    1-methoxy-2-propyl acetate 482.82
    2-(2-methoxypropoxy) propanol 260.52
    mesitylene 272.48
    ε-caprolactone 423.76
    p-cymene 281.15
    epichlorohydrin 531.55
    1,1,1-trichloroethane 460.35
    2-aminoethanol 26.73
    morpholine-4-carbaldehyde 284.38
    sulfolane 296.94
    2,2,4-trimethylpentane 103.87
    2-methyltetrahydrofuran 1148.01
    n-hexyl acetate 431.51
    isooctane 106.78
    2-(2-butoxyethoxy)ethanol 327.53
    sec-butyl acetate 232.88
    tert-butyl acetate 402.92
    decalin 143.25
    glycerin 26.66
    diglyme 537.94
    acrylic acid 38.03
    isopropyl myristate 224.98
    n-butyric acid 217.57
    acetyl acetate 178.51
    di(2-ethylhexyl) phthalate 164.88
    ethyl propionate 211.62
    nitromethane 86.6
    1,2-diethoxyethane 605.52
    benzonitrile 229.57
    trioctyl phosphate 131.46
    1-bromopropane 550.52
    gamma-valerolactone 484.11
    n-decanol 167.47
    triethyl phosphate 155.37
    4-methyl-2-pentanol 200.31
    propionitrile 194.2
    vinylene carbonate 177.27
    1,1,2-trichlorotrifluoroethane 145.42
    DMS 198.32
    cumene 183.2
    2-octanol 163.88
    2-hexanone 301.25
    octyl acetate 252.39
    limonene 430.97
    1,2-dimethoxyethane 402.31
    ethyl orthosilicate 173.45
    tributyl phosphate 151.71
    diacetone alcohol 277.41
    N,N-dimethylaniline 229.55
    acrylonitrile 123.87
    aniline 299.81
    1,3-propanediol 72.51
    bromobenzene 477.32
    dibromomethane 487.39
    1,1,2,2-tetrachloroethane 446.3
    2-methyl-cyclohexyl acetate 361.7
    tetrabutyl urea 187.01
    diisobutyl methanol 268.01
    2-phenylethanol 300.98
    styrene 287.11
    dioctyl adipate 235.93
    dimethyl sulfate 78.14
    ethyl butyrate 456.74
    methyl lactate 58.16
    butyl lactate 148.91
    diethyl carbonate 228.13
    propanediol butyl ether 155.37
    triethyl orthoformate 318.82
    p-tert-butyltoluene 293.02
    methyl 4-tert-butylbenzoate 275.76
    morpholine 771.46
    tert-butylamine 336.97
    n-dodecanol 134.67
    dimethoxymethane 283.5
    ethylene carbonate 174.07
    cyrene 171.59
    2-ethoxyethyl acetate 322.67
    2-ethylhexyl acetate 615.56
    1,2,4-trichlorobenzene 307.34
    4-methylpyridine 594.13
    dibutyl ether 447.6
    2,6-dimethyl-4-heptanol 268.01
    DEF 316.09
    dimethyl isosorbide 509.95
    tetrachloroethylene 265.1
    eugenol 196.12
    triacetin 243.39
    span 80 263.03
    1,4-butanediol 23.56
    1,1-dichloroethane 420.19
    2-methyl-1-pentanol 210.61
    methyl formate 44.74
    2-methyl-1-butanol 249.3
    n-decane 97.69
    butyronitrile 325.43
    3,7-dimethyl-1-octanol 267.0
    1-chlorooctane 255.48
    1-chlorotetradecane 105.34
    n-nonane 104.6
    undecane 67.99
    tert-butylcyclohexane 134.72
    cyclooctane 191.29
    cyclopentanol 259.01
    tetrahydropyran 1300.97
    tert-amyl methyl ether 473.37
    2,5,8-trioxanonane 366.54
    1-hexene 469.84
    2-isopropoxyethanol 124.59
    2,2,2-trifluoroethanol 16.0
    methyl butyrate 245.86

    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