1-Methyl-5,6-divinyl-1-cyclohexene

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  • Identifiers

    Molecular formula
    C11H16

    SMILES
    CC1=CCCC(C1C=C)C=C

  • Odor profile

    Green 61.06%
    Herbal 57.91%
    Woody 52.83%
    Citrus 50.87%
    Spicy 48.9%
    Fruity 43.64%
    Fresh 40.82%
    Terpenic 36.04%
    Oily 35.2%
    Sweet 33.24%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    Molecular weight
    148.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    178°C

    Flash point est.
    58.42 ˚C

  • Synonyms

    • 1-Methyl-5,6-divinyl-1-cyclohexene
    • 2-Methyl-3,4-divinyl-1-cyclohexene
    • Cyclohexene, 5,6-diethenyl-1-methyl-
    • OPTHRYQKFFRAFP-UHFFFAOYSA-N
    • 1-Methyl-5,6-divinyl-1-cyclohexene #
    • 61141-78-4
    • DB-303484

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 566.12
    methanol 373.18
    isopropanol 580.99
    water 0.11
    ethyl acetate 1066.77
    n-propanol 608.77
    acetone 1121.51
    n-butanol 691.04
    acetonitrile 784.09
    DMF 717.57
    toluene 1005.84
    isobutanol 519.09
    1,4-dioxane 1986.92
    methyl acetate 851.39
    THF 3082.44
    2-butanone 1104.69
    n-pentanol 448.11
    sec-butanol 572.87
    n-hexane 481.24
    ethylene glycol 40.37
    NMP 828.1
    cyclohexane 692.19
    DMSO 873.2
    n-butyl acetate 1576.34
    n-octanol 352.71
    chloroform 1775.32
    n-propyl acetate 688.79
    acetic acid 259.34
    dichloromethane 1754.93
    cyclohexanone 1546.21
    propylene glycol 77.39
    isopropyl acetate 694.73
    DMAc 490.96
    2-ethoxyethanol 390.01
    isopentanol 621.79
    n-heptane 432.99
    ethyl formate 455.19
    1,2-dichloroethane 1340.94
    n-hexanol 1028.95
    2-methoxyethanol 541.22
    isobutyl acetate 483.94
    tetrachloromethane 521.91
    n-pentyl acetate 550.26
    transcutol 1574.75
    n-heptanol 353.09
    ethylbenzene 381.99
    MIBK 670.54
    2-propoxyethanol 962.76
    tert-butanol 847.26
    MTBE 1276.71
    2-butoxyethanol 427.95
    propionic acid 306.25
    o-xylene 397.66
    formic acid 35.22
    diethyl ether 1924.29
    m-xylene 579.32
    p-xylene 396.1
    chlorobenzene 844.04
    dimethyl carbonate 235.6
    n-octane 137.02
    formamide 65.23
    cyclopentanone 1603.4
    2-pentanone 1032.31
    anisole 563.7
    cyclopentyl methyl ether 1518.55
    gamma-butyrolactone 1328.19
    1-methoxy-2-propanol 551.04
    pyridine 1253.8
    3-pentanone 800.06
    furfural 793.44
    n-dodecane 76.51
    diethylene glycol 318.32
    diisopropyl ether 579.06
    tert-amyl alcohol 605.3
    acetylacetone 830.3
    n-hexadecane 89.4
    acetophenone 389.55
    methyl propionate 640.68
    isopentyl acetate 1127.8
    trichloroethylene 1759.22
    n-nonanol 300.11
    cyclohexanol 709.98
    benzyl alcohol 295.05
    2-ethylhexanol 660.18
    isooctanol 315.43
    dipropyl ether 1274.09
    1,2-dichlorobenzene 605.59
    ethyl lactate 175.44
    propylene carbonate 707.29
    n-methylformamide 269.17
    2-pentanol 574.09
    n-pentane 444.27
    1-propoxy-2-propanol 846.13
    1-methoxy-2-propyl acetate 794.88
    2-(2-methoxypropoxy) propanol 370.72
    mesitylene 379.24
    ε-caprolactone 1069.85
    p-cymene 295.83
    epichlorohydrin 1655.56
    1,1,1-trichloroethane 1463.97
    2-aminoethanol 109.55
    morpholine-4-carbaldehyde 810.96
    sulfolane 1289.53
    2,2,4-trimethylpentane 152.26
    2-methyltetrahydrofuran 2251.45
    n-hexyl acetate 674.95
    isooctane 166.46
    2-(2-butoxyethoxy)ethanol 563.8
    sec-butyl acetate 452.11
    tert-butyl acetate 795.42
    decalin 208.96
    glycerin 95.25
    diglyme 1028.62
    acrylic acid 195.25
    isopropyl myristate 298.73
    n-butyric acid 669.35
    acetyl acetate 494.43
    di(2-ethylhexyl) phthalate 190.4
    ethyl propionate 524.27
    nitromethane 526.92
    1,2-diethoxyethane 1122.23
    benzonitrile 539.7
    trioctyl phosphate 173.01
    1-bromopropane 1461.89
    gamma-valerolactone 1305.03
    n-decanol 232.24
    triethyl phosphate 228.0
    4-methyl-2-pentanol 344.35
    propionitrile 789.75
    vinylene carbonate 524.58
    1,1,2-trichlorotrifluoroethane 516.73
    DMS 379.55
    cumene 230.18
    2-octanol 260.98
    2-hexanone 790.99
    octyl acetate 351.57
    limonene 509.01
    1,2-dimethoxyethane 1012.17
    ethyl orthosilicate 246.94
    tributyl phosphate 214.19
    diacetone alcohol 570.35
    N,N-dimethylaniline 318.78
    acrylonitrile 622.17
    aniline 591.66
    1,3-propanediol 240.35
    bromobenzene 1025.15
    dibromomethane 1486.51
    1,1,2,2-tetrachloroethane 1267.29
    2-methyl-cyclohexyl acetate 458.69
    tetrabutyl urea 252.37
    diisobutyl methanol 369.69
    2-phenylethanol 467.77
    styrene 492.39
    dioctyl adipate 298.3
    dimethyl sulfate 304.13
    ethyl butyrate 821.86
    methyl lactate 184.34
    butyl lactate 269.92
    diethyl carbonate 398.25
    propanediol butyl ether 282.57
    triethyl orthoformate 456.97
    p-tert-butyltoluene 299.75
    methyl 4-tert-butylbenzoate 340.83
    morpholine 1747.72
    tert-butylamine 653.91
    n-dodecanol 190.24
    dimethoxymethane 834.25
    ethylene carbonate 534.87
    cyrene 276.84
    2-ethoxyethyl acetate 572.01
    2-ethylhexyl acetate 908.85
    1,2,4-trichlorobenzene 643.82
    4-methylpyridine 1286.91
    dibutyl ether 763.42
    2,6-dimethyl-4-heptanol 369.69
    DEF 796.12
    dimethyl isosorbide 676.14
    tetrachloroethylene 803.42
    eugenol 295.22
    triacetin 364.98
    span 80 342.03
    1,4-butanediol 92.05
    1,1-dichloroethane 1554.82
    2-methyl-1-pentanol 408.86
    methyl formate 257.62
    2-methyl-1-butanol 585.27
    n-decane 135.88
    butyronitrile 979.23
    3,7-dimethyl-1-octanol 370.3
    1-chlorooctane 402.42
    1-chlorotetradecane 157.99
    n-nonane 157.69
    undecane 97.53
    tert-butylcyclohexane 204.82
    cyclooctane 274.84
    cyclopentanol 684.06
    tetrahydropyran 2669.11
    tert-amyl methyl ether 768.96
    2,5,8-trioxanonane 614.73
    1-hexene 971.35
    2-isopropoxyethanol 355.55
    2,2,2-trifluoroethanol 74.81
    methyl butyrate 679.0

    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

Botanical

Name CAS Botanical Proportion
Clausena dunniana (China) 2 Clausena dunniana Levl., fam. Rutaceae 7.67%