Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-

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  • Identifiers

    CAS number
    13833-25-5

    Molecular formula
    C15H24

    SMILES
    CC(=C)[C@H]1CC[C@]([C@H](C1)C(=C)C)(C)C=C

  • Odor profile

    Fragrance
    Woody 77.03%
    Herbal 72.65%
    Sweet 72.58%
    Citrus 64.56%
    Terpenic 61.87%
    Green 56.13%
    Fresh 53.46%
    Pine 49.67%
    Spicy 49.39%
    Mint 41.64%

     

    Flavor
    Herbal 57.12%
    Woody 49.33%
    Herb 45.72%
    Fresh 45.05%
    Wood 43.47%
    Citrus 37.47%
    Terpene 36.77%
    Waxy 36.24%
    Green 34.83%
    Spice 33.06%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.1

    pKa est.
    8.97 (weak base)

    Molecular weight
    204.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    243°C

    Flash point

    • 96.61 ˚C est.

  • Synonyms

    • 13833-25-5
    • .beta.-Elemene
    • 33880-83-0
    • (-)-.beta.-Elemene
    • .beta.-Elemen
    • levo-.beta.-Elemene
    • .beta.-Elemene enantiomer
    • .beta.-Elemene, (-)-
    • Cyclohexane, 2,4-diisopropenyl-1-methyl-1-vinyl-, (1S,2R,4R)- (-)-
    • DTXSID40431930
    • Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1S-(1.alpha.,2.beta.,4.beta.)]-
    • (1R,2R,4S)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
    • Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, (1R,2R,4S)-
    • ( inverted exclamation markA)-|A-Elemene
    • NS00059116
    • EN300-27115302
    • (1R,2R,4S)-1-Methyl-2,4-di(prop-1-en-2-yl)-1-vinylcyclohexane
    • 2,4-Diisopropenyl-1-methyl-1-vinylcyclohexane, [1S-(1.alpha.,2.beta.,4.beta.)]-

  • Applications

    CAS 13833-25-5 is a cyclohexane derivative bearing vinyl and isopropenyl groups, used as a reactive monomer for copolymerization in polymer and specialty resin syntheses. Typical uses include: as a copolymerizable monomer for advanced polymers and resins; as a crosslinking agent in coatings, inks, and adhesives to improve adhesion, heat resistance, and mechanical properties; as an intermediate in organic synthesis for resin formulations and specialty materials; and as a component in plastics and polymer networks that require rigidity and high thermal stability. Applications are considered in compliance with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 333.63
    methanol 146.4
    isopropanol 344.84
    water 0.05
    ethyl acetate 583.53
    n-propanol 348.27
    acetone 372.35
    n-butanol 461.3
    acetonitrile 210.57
    DMF 274.72
    toluene 776.72
    isobutanol 268.85
    1,4-dioxane 1109.49
    methyl acetate 329.23
    THF 2156.77
    2-butanone 519.84
    n-pentanol 241.99
    sec-butanol 319.49
    n-hexane 249.88
    ethylene glycol 8.75
    NMP 273.57
    cyclohexane 474.42
    DMSO 158.06
    n-butyl acetate 1058.28
    n-octanol 251.68
    chloroform 821.53
    n-propyl acetate 313.78
    acetic acid 83.27
    dichloromethane 691.87
    cyclohexanone 729.83
    propylene glycol 30.63
    isopropyl acetate 498.56
    DMAc 283.78
    2-ethoxyethanol 163.32
    isopentanol 416.79
    n-heptane 402.41
    ethyl formate 181.41
    1,2-dichloroethane 464.35
    n-hexanol 749.41
    2-methoxyethanol 266.59
    isobutyl acetate 286.8
    tetrachloromethane 210.19
    n-pentyl acetate 368.65
    transcutol 1107.74
    n-heptanol 260.61
    ethylbenzene 291.09
    MIBK 417.49
    2-propoxyethanol 555.38
    tert-butanol 509.96
    MTBE 1005.42
    2-butoxyethanol 283.57
    propionic acid 102.07
    o-xylene 332.46
    formic acid 11.27
    diethyl ether 1129.56
    m-xylene 485.93
    p-xylene 343.51
    chlorobenzene 436.67
    dimethyl carbonate 93.87
    n-octane 92.23
    formamide 24.48
    cyclopentanone 695.85
    2-pentanone 594.53
    anisole 397.92
    cyclopentyl methyl ether 938.21
    gamma-butyrolactone 478.55
    1-methoxy-2-propanol 311.49
    pyridine 714.78
    3-pentanone 414.0
    furfural 299.35
    n-dodecane 47.21
    diethylene glycol 131.54
    diisopropyl ether 441.21
    tert-amyl alcohol 395.1
    acetylacetone 389.43
    n-hexadecane 56.26
    acetophenone 263.31
    methyl propionate 316.49
    isopentyl acetate 852.53
    trichloroethylene 634.64
    n-nonanol 234.81
    cyclohexanol 423.14
    benzyl alcohol 172.96
    2-ethylhexanol 572.39
    isooctanol 225.53
    dipropyl ether 1210.38
    1,2-dichlorobenzene 314.51
    ethyl lactate 75.21
    propylene carbonate 307.75
    n-methylformamide 83.69
    2-pentanol 359.07
    n-pentane 274.75
    1-propoxy-2-propanol 573.34
    1-methoxy-2-propyl acetate 640.86
    2-(2-methoxypropoxy) propanol 319.6
    mesitylene 306.79
    ε-caprolactone 528.79
    p-cymene 307.24
    epichlorohydrin 654.39
    1,1,1-trichloroethane 541.13
    2-aminoethanol 41.89
    morpholine-4-carbaldehyde 377.36
    sulfolane 326.48
    2,2,4-trimethylpentane 108.79
    2-methyltetrahydrofuran 1440.56
    n-hexyl acetate 497.57
    isooctane 117.98
    2-(2-butoxyethoxy)ethanol 423.28
    sec-butyl acetate 303.95
    tert-butyl acetate 564.22
    decalin 144.57
    glycerin 35.12
    diglyme 730.87
    acrylic acid 50.79
    isopropyl myristate 245.23
    n-butyric acid 320.33
    acetyl acetate 251.34
    di(2-ethylhexyl) phthalate 175.08
    ethyl propionate 288.44
    nitromethane 126.48
    1,2-diethoxyethane 904.56
    benzonitrile 276.67
    trioctyl phosphate 136.41
    1-bromopropane 659.5
    gamma-valerolactone 628.95
    n-decanol 176.08
    triethyl phosphate 174.11
    4-methyl-2-pentanol 267.51
    propionitrile 311.58
    vinylene carbonate 228.42
    1,1,2-trichlorotrifluoroethane 168.02
    DMS 224.59
    cumene 196.53
    2-octanol 179.17
    2-hexanone 379.5
    octyl acetate 273.29
    limonene 499.07
    1,2-dimethoxyethane 594.24
    ethyl orthosilicate 204.55
    tributyl phosphate 158.86
    diacetone alcohol 350.76
    N,N-dimethylaniline 263.29
    acrylonitrile 190.47
    aniline 390.2
    1,3-propanediol 119.35
    bromobenzene 535.87
    dibromomethane 589.55
    1,1,2,2-tetrachloroethane 513.13
    2-methyl-cyclohexyl acetate 420.82
    tetrabutyl urea 200.23
    diisobutyl methanol 320.19
    2-phenylethanol 362.07
    styrene 315.66
    dioctyl adipate 258.92
    dimethyl sulfate 90.17
    ethyl butyrate 614.02
    methyl lactate 74.88
    butyl lactate 170.06
    diethyl carbonate 282.46
    propanediol butyl ether 177.81
    triethyl orthoformate 395.72
    p-tert-butyltoluene 325.17
    methyl 4-tert-butylbenzoate 314.37
    morpholine 1182.49
    tert-butylamine 503.85
    n-dodecanol 139.53
    dimethoxymethane 434.47
    ethylene carbonate 228.55
    cyrene 181.61
    2-ethoxyethyl acetate 408.55
    2-ethylhexyl acetate 739.26
    1,2,4-trichlorobenzene 328.78
    4-methylpyridine 764.19
    dibutyl ether 574.83
    2,6-dimethyl-4-heptanol 320.19
    DEF 433.67
    dimethyl isosorbide 594.44
    tetrachloroethylene 313.97
    eugenol 222.21
    triacetin 274.81
    span 80 300.33
    1,4-butanediol 30.42
    1,1-dichloroethane 531.33
    2-methyl-1-pentanol 255.81
    methyl formate 61.89
    2-methyl-1-butanol 334.6
    n-decane 96.8
    butyronitrile 502.08
    3,7-dimethyl-1-octanol 294.1
    1-chlorooctane 268.8
    1-chlorotetradecane 103.63
    n-nonane 101.8
    undecane 64.17
    tert-butylcyclohexane 138.01
    cyclooctane 192.21
    cyclopentanol 312.51
    tetrahydropyran 1745.43
    tert-amyl methyl ether 599.06
    2,5,8-trioxanonane 471.82
    1-hexene 551.19
    2-isopropoxyethanol 168.82
    2,2,2-trifluoroethanol 21.81
    methyl butyrate 327.53

    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