1,3,5,5-Tetramethyl-1,3-cyclohexadiene

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  • Identifiers

    CAS number
    4724-89-4

    Molecular formula
    C10H16

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

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 73.87%
    Green 50.72%
    Sweet 47.92%
    Citrus 47.16%
    Spicy 46.99%
    Herbal 45.63%
    Fresh 40.02%
    Camphoreous 39.24%
    Terpenic 38.73%
    Tobacco 37.39%

     

    Flavor
    Woody 65.13%
    Sweet 43.52%
    Camphor 37.97%
    Green 37.3%
    Earthy 35.55%
    Wood 34.23%
    Dry 33.83%
    Tobacco 31.22%
    Musty 28.83%
    Fresh 28.58%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    10.54 (weak base)

    Molecular weight
    136.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    155°C

    Flash point

    • 47.75 ˚C est.

  • Synonyms

    • 1,3,5,5-Tetramethyl-1,3-cyclohexadiene
    • 4724-89-4
    • 1,3-Cyclohexadiene, 1,3,5,5-tetramethyl-
    • LW73Z302UP
    • NSC 123453
    • NSC-123453
    • UNII-LW73Z302UP
    • DTXSID0063575
    • RefChem:72263
    • DTXCID5040542
    • SZHAWDAGEJWQJK-UHFFFAOYSA-N
    • 1,3,5,5-tetramethylcyclohexa-1,3-diene
    • MFCD00045518
    • NSC123453
    • SCHEMBL2322583
    • SCHEMBL2567716
    • 1, 1,3,5,5-tetramethyl-
    • 1,3,5,5-tetramethylcyclohexadiene
    • EAA72489
    • AKOS025295352
    • 1,5,5-Tetramethyl-1,3-cyclohexadiene
    • DB-051437
    • T1718
    • D92512
    • 4724-89-4

  • Applications

    1,3,5,5-Tetramethyl-1,3-cyclohexadiene, CAS number: 4724-89-4, is primarily used as a synthetic building block in specialty chemical manufacture. In fragrance and cosmetics, it is evaluated as a precursor or component for aroma compounds and fragrance systems within personal care formulations. In polymers and plastics, it can serve as a building block for functional monomers or crosslinkable derivatives. In coatings and inks, it may act as a reactive intermediate to introduce hydrophobic moieties or be incorporated into resin systems. In industrial manufacturing, it is used as a synthetic intermediate for subsequent transformations of chemical chains, depending on formulation and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 645.96
    methanol 575.17
    isopropanol 502.58
    water 0.74
    ethyl acetate 1058.47
    n-propanol 629.39
    acetone 751.45
    n-butanol 817.82
    acetonitrile 511.83
    DMF 513.36
    toluene 970.02
    isobutanol 561.32
    1,4-dioxane 1364.4
    methyl acetate 800.3
    THF 2609.44
    2-butanone 904.97
    n-pentanol 586.64
    sec-butanol 659.6
    n-hexane 1220.31
    ethylene glycol 75.33
    NMP 1027.83
    cyclohexane 1371.5
    DMSO 358.41
    n-butyl acetate 1500.71
    n-octanol 756.57
    chloroform 1208.0
    n-propyl acetate 578.57
    acetic acid 386.07
    dichloromethane 944.24
    cyclohexanone 1443.39
    propylene glycol 130.83
    isopropyl acetate 820.28
    DMAc 598.34
    2-ethoxyethanol 414.44
    isopentanol 789.74
    n-heptane 1384.69
    ethyl formate 433.37
    1,2-dichloroethane 756.36
    n-hexanol 2036.92
    2-methoxyethanol 616.55
    isobutyl acetate 481.01
    tetrachloromethane 407.03
    n-pentyl acetate 621.9
    transcutol 1089.41
    n-heptanol 647.05
    ethylbenzene 478.99
    MIBK 794.11
    2-propoxyethanol 1318.32
    tert-butanol 806.85
    MTBE 1483.7
    2-butoxyethanol 527.83
    propionic acid 401.38
    o-xylene 566.49
    formic acid 96.97
    diethyl ether 1800.46
    m-xylene 803.84
    p-xylene 503.34
    chlorobenzene 646.16
    dimethyl carbonate 275.0
    n-octane 393.46
    formamide 93.95
    cyclopentanone 1256.93
    2-pentanone 1028.0
    anisole 498.01
    cyclopentyl methyl ether 2099.8
    gamma-butyrolactone 1104.59
    1-methoxy-2-propanol 567.32
    pyridine 755.15
    3-pentanone 883.65
    furfural 624.62
    n-dodecane 235.71
    diethylene glycol 428.03
    diisopropyl ether 981.67
    tert-amyl alcohol 900.09
    acetylacetone 724.98
    n-hexadecane 265.12
    acetophenone 367.05
    methyl propionate 774.72
    isopentyl acetate 1281.3
    trichloroethylene 974.31
    n-nonanol 628.98
    cyclohexanol 1037.83
    benzyl alcohol 276.87
    2-ethylhexanol 1488.06
    isooctanol 516.18
    dipropyl ether 1737.06
    1,2-dichlorobenzene 443.61
    ethyl lactate 192.75
    propylene carbonate 697.55
    n-methylformamide 279.94
    2-pentanol 771.68
    n-pentane 937.26
    1-propoxy-2-propanol 1089.32
    1-methoxy-2-propyl acetate 926.28
    2-(2-methoxypropoxy) propanol 485.06
    mesitylene 576.77
    ε-caprolactone 1191.64
    p-cymene 506.62
    epichlorohydrin 1120.91
    1,1,1-trichloroethane 952.73
    2-aminoethanol 176.42
    morpholine-4-carbaldehyde 790.1
    sulfolane 878.41
    2,2,4-trimethylpentane 424.78
    2-methyltetrahydrofuran 2432.52
    n-hexyl acetate 1079.89
    isooctane 409.39
    2-(2-butoxyethoxy)ethanol 611.14
    sec-butyl acetate 533.03
    tert-butyl acetate 967.74
    decalin 514.03
    glycerin 145.55
    diglyme 862.71
    acrylic acid 266.07
    isopropyl myristate 431.14
    n-butyric acid 670.25
    acetyl acetate 560.13
    di(2-ethylhexyl) phthalate 277.82
    ethyl propionate 591.55
    nitromethane 451.61
    1,2-diethoxyethane 933.01
    benzonitrile 416.22
    trioctyl phosphate 264.05
    1-bromopropane 1119.53
    gamma-valerolactone 1155.28
    n-decanol 469.19
    triethyl phosphate 292.9
    4-methyl-2-pentanol 565.2
    propionitrile 549.2
    vinylene carbonate 498.38
    1,1,2-trichlorotrifluoroethane 461.1
    DMS 507.89
    cumene 352.67
    2-octanol 511.4
    2-hexanone 732.66
    octyl acetate 537.27
    limonene 1028.47
    1,2-dimethoxyethane 809.27
    ethyl orthosilicate 340.17
    tributyl phosphate 324.66
    diacetone alcohol 659.38
    N,N-dimethylaniline 364.18
    acrylonitrile 412.34
    aniline 543.8
    1,3-propanediol 293.16
    bromobenzene 701.84
    dibromomethane 954.07
    1,1,2,2-tetrachloroethane 812.21
    2-methyl-cyclohexyl acetate 643.39
    tetrabutyl urea 368.82
    diisobutyl methanol 603.7
    2-phenylethanol 581.46
    styrene 460.61
    dioctyl adipate 401.04
    dimethyl sulfate 275.5
    ethyl butyrate 845.66
    methyl lactate 218.72
    butyl lactate 335.16
    diethyl carbonate 416.14
    propanediol butyl ether 364.79
    triethyl orthoformate 584.25
    p-tert-butyltoluene 519.06
    methyl 4-tert-butylbenzoate 451.77
    morpholine 1371.62
    tert-butylamine 785.5
    n-dodecanol 364.1
    dimethoxymethane 762.5
    ethylene carbonate 511.39
    cyrene 297.51
    2-ethoxyethyl acetate 593.74
    2-ethylhexyl acetate 1208.98
    1,2,4-trichlorobenzene 482.42
    4-methylpyridine 972.95
    dibutyl ether 1089.4
    2,6-dimethyl-4-heptanol 603.7
    DEF 896.9
    dimethyl isosorbide 769.0
    tetrachloroethylene 549.98
    eugenol 329.76
    triacetin 478.55
    span 80 488.35
    1,4-butanediol 125.01
    1,1-dichloroethane 889.73
    2-methyl-1-pentanol 591.86
    methyl formate 260.13
    2-methyl-1-butanol 773.84
    n-decane 427.24
    butyronitrile 739.61
    3,7-dimethyl-1-octanol 745.29
    1-chlorooctane 743.26
    1-chlorotetradecane 300.59
    n-nonane 489.49
    undecane 305.12
    tert-butylcyclohexane 531.18
    cyclooctane 827.17
    cyclopentanol 775.54
    tetrahydropyran 2291.36
    tert-amyl methyl ether 1393.93
    2,5,8-trioxanonane 603.88
    1-hexene 1409.93
    2-isopropoxyethanol 378.4
    2,2,2-trifluoroethanol 117.76
    methyl butyrate 659.29

    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