Cyclohexene, 1,5,5-trimethyl-6-methylene-

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  • Identifiers

    CAS number
    514-95-4

    Molecular formula
    C10H16

    SMILES
    CC1=CCCC(C1=C)(C)C

  • Odor profile

    Fragrance
    Woody 82.57%
    Sweet 73.67%
    Herbal 53.63%
    Spicy 48.84%
    Camphoreous 47.9%
    Citrus 45.9%
    Terpenic 45.06%
    Tobacco 41.18%
    Fruity 39.98%
    Fresh 39.3%

     

    Flavor
    Woody 70.06%
    Camphor 45.07%
    Wood 38.9%
    Dry 36.23%
    Sweet 35.03%
    Herbal 34.03%
    Pine 30.4%
    Fresh 29.62%
    Spicy 25.76%
    Citrus 25.4%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    10.39 (weak base)

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    166°C

    Flash point

    • 45.69 ˚C est.

  • Synonyms

    • 514-95-4
    • 1,5,5-Trimethyl-6-methylene-cyclohexene
    • Cyclohexene, 1,5,5-trimethyl-6-methylene-
    • DTXSID60342059
    • 1,5,5-trimethyl-6-methylidenecyclohexene
    • 1,5,5-Trimethyl-6-methylenecyclohexene
    • DTXCID20293139
    • 2,4,4-trimethyl-3-methylenecyclohexene
    • NS00096138
    • 1,5,5-Trimethyl-6-methylene-1-cyclohexene #
    • Q24819025

  • Applications

    Cyclohexene, 1,5,5-trimethyl-6-methylene- (CAS 514-95-4) is a terpene-like cyclohexene derivative primarily used as a fragrance ingredient and synthetic intermediate in the fragrance industry. In practice, it is commonly employed as an odorant in perfumery and personal care products, may be used as an aroma ingredient in flavor applications under controlled conditions, and serves as a fragrance component in cosmetics and household products. It can also function as an intermediate in the synthesis of more complex fragrance compounds and is considered for use in polymer, coating, and ink formulations as a precursor or additive. Applications are subject to local regulations and formulation limits.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 456.44
    methanol 389.33
    isopropanol 353.91
    water 0.33
    ethyl acetate 637.66
    n-propanol 408.29
    acetone 340.3
    n-butanol 485.82
    acetonitrile 341.79
    DMF 321.32
    toluene 577.73
    isobutanol 289.92
    1,4-dioxane 1016.45
    methyl acetate 386.82
    THF 1581.71
    2-butanone 448.27
    n-pentanol 308.78
    sec-butanol 372.45
    n-hexane 377.7
    ethylene glycol 27.98
    NMP 365.03
    cyclohexane 391.84
    DMSO 193.39
    n-butyl acetate 919.24
    n-octanol 293.91
    chloroform 1048.88
    n-propyl acetate 326.39
    acetic acid 169.44
    dichloromethane 846.2
    cyclohexanone 594.82
    propylene glycol 54.24
    isopropyl acetate 445.55
    DMAc 323.88
    2-ethoxyethanol 264.77
    isopentanol 424.09
    n-heptane 399.49
    ethyl formate 247.62
    1,2-dichloroethane 516.73
    n-hexanol 821.06
    2-methoxyethanol 397.82
    isobutyl acetate 242.89
    tetrachloromethane 324.62
    n-pentyl acetate 386.03
    transcutol 1226.62
    n-heptanol 324.76
    ethylbenzene 256.76
    MIBK 361.42
    2-propoxyethanol 709.84
    tert-butanol 506.57
    MTBE 846.83
    2-butoxyethanol 360.47
    propionic acid 174.19
    o-xylene 300.48
    formic acid 47.86
    diethyl ether 1071.56
    m-xylene 379.86
    p-xylene 296.42
    chlorobenzene 442.46
    dimethyl carbonate 136.67
    n-octane 128.51
    formamide 79.77
    cyclopentanone 573.52
    2-pentanone 500.5
    anisole 402.2
    cyclopentyl methyl ether 801.05
    gamma-butyrolactone 502.11
    1-methoxy-2-propanol 371.53
    pyridine 626.02
    3-pentanone 420.85
    furfural 391.33
    n-dodecane 64.06
    diethylene glycol 242.97
    diisopropyl ether 463.22
    tert-amyl alcohol 466.75
    acetylacetone 366.1
    n-hexadecane 73.44
    acetophenone 259.05
    methyl propionate 364.28
    isopentyl acetate 702.21
    trichloroethylene 744.64
    n-nonanol 281.91
    cyclohexanol 386.56
    benzyl alcohol 198.63
    2-ethylhexanol 549.9
    isooctanol 282.07
    dipropyl ether 967.52
    1,2-dichlorobenzene 379.72
    ethyl lactate 102.77
    propylene carbonate 323.31
    n-methylformamide 158.79
    2-pentanol 396.78
    n-pentane 323.78
    1-propoxy-2-propanol 605.11
    1-methoxy-2-propyl acetate 566.83
    2-(2-methoxypropoxy) propanol 351.15
    mesitylene 268.07
    ε-caprolactone 529.21
    p-cymene 269.4
    epichlorohydrin 643.46
    1,1,1-trichloroethane 636.3
    2-aminoethanol 97.82
    morpholine-4-carbaldehyde 455.49
    sulfolane 384.77
    2,2,4-trimethylpentane 143.31
    2-methyltetrahydrofuran 1088.21
    n-hexyl acetate 498.91
    isooctane 148.27
    2-(2-butoxyethoxy)ethanol 476.73
    sec-butyl acetate 278.73
    tert-butyl acetate 514.59
    decalin 169.55
    glycerin 67.87
    diglyme 742.79
    acrylic acid 104.9
    isopropyl myristate 235.43
    n-butyric acid 398.62
    acetyl acetate 305.86
    di(2-ethylhexyl) phthalate 162.53
    ethyl propionate 315.03
    nitromethane 239.94
    1,2-diethoxyethane 939.89
    benzonitrile 294.75
    trioctyl phosphate 129.81
    1-bromopropane 633.74
    gamma-valerolactone 614.47
    n-decanol 212.08
    triethyl phosphate 200.66
    4-methyl-2-pentanol 276.68
    propionitrile 432.78
    vinylene carbonate 292.26
    1,1,2-trichlorotrifluoroethane 238.35
    DMS 269.53
    cumene 195.51
    2-octanol 231.41
    2-hexanone 363.76
    octyl acetate 265.05
    limonene 426.71
    1,2-dimethoxyethane 577.53
    ethyl orthosilicate 240.15
    tributyl phosphate 167.32
    diacetone alcohol 339.25
    N,N-dimethylaniline 288.02
    acrylonitrile 308.66
    aniline 374.99
    1,3-propanediol 194.16
    bromobenzene 525.05
    dibromomethane 684.53
    1,1,2,2-tetrachloroethane 605.43
    2-methyl-cyclohexyl acetate 394.12
    tetrabutyl urea 194.66
    diisobutyl methanol 319.99
    2-phenylethanol 389.84
    styrene 287.72
    dioctyl adipate 236.75
    dimethyl sulfate 132.85
    ethyl butyrate 530.36
    methyl lactate 109.16
    butyl lactate 195.0
    diethyl carbonate 302.76
    propanediol butyl ether 201.28
    triethyl orthoformate 398.78
    p-tert-butyltoluene 288.27
    methyl 4-tert-butylbenzoate 318.47
    morpholine 1000.73
    tert-butylamine 471.56
    n-dodecanol 163.13
    dimethoxymethane 486.02
    ethylene carbonate 270.24
    cyrene 200.36
    2-ethoxyethyl acetate 444.4
    2-ethylhexyl acetate 655.37
    1,2,4-trichlorobenzene 372.1
    4-methylpyridine 631.01
    dibutyl ether 568.46
    2,6-dimethyl-4-heptanol 319.99
    DEF 463.04
    dimethyl isosorbide 594.26
    tetrachloroethylene 435.46
    eugenol 253.61
    triacetin 275.74
    span 80 308.14
    1,4-butanediol 59.9
    1,1-dichloroethane 605.91
    2-methyl-1-pentanol 317.73
    methyl formate 111.93
    2-methyl-1-butanol 390.51
    n-decane 118.13
    butyronitrile 517.15
    3,7-dimethyl-1-octanol 350.61
    1-chlorooctane 290.94
    1-chlorotetradecane 124.62
    n-nonane 128.13
    undecane 83.51
    tert-butylcyclohexane 185.96
    cyclooctane 194.21
    cyclopentanol 307.78
    tetrahydropyran 1249.47
    tert-amyl methyl ether 626.5
    2,5,8-trioxanonane 538.47
    1-hexene 577.44
    2-isopropoxyethanol 230.46
    2,2,2-trifluoroethanol 51.88
    methyl butyrate 326.15

    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
Betel leaf Desawari (India) Piper betle L. var. Desawari, fam. Piperaceae 0.42%