1,2,3,4-Tetramethylcyclohexane

Overview IFRA Request a quote

  • Identifiers

    CAS number
    3726-45-2

    Molecular formula
    C10H20

    SMILES
    CC1CCC(C(C1C)C)C

  • Odor profile

    Fragrance
    Woody 55.97%
    Herbal 52.4%
    Fresh 49.05%
    Spicy 41.22%
    Citrus 40.72%
    Pine 40.4%
    Terpenic 35.47%
    Camphoreous 35.06%
    Sweet 34.6%
    Green 32.17%

     

    Flavor
    Woody 42.62%
    Sweet 35.52%
    Pine 32.25%
    Camphor 29.97%
    Herbal 27.84%
    Green 26.55%
    Dry 25.9%
    Wood 24.8%
    Fir needle 24.62%
    Herb 24.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    10.5 (weak base)

    Molecular weight
    140.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    164°C

    Flash point

    • 43.95 ˚C est.

  • Synonyms

    • 1,2,3,4-Tetramethylcyclohexane
    • Cyclohexane, 1,2,3,4-tetramethyl-
    • 3726-45-2
    • DTXSID10871041
    • 1R,2c,3t,4t-Tetramethyl-cyclohexane
    • DTXCID30818716
    • OOQVBBNTNKHXSN-UHFFFAOYSA-N
    • 1,2,3,4-Tetramethylcyclohexane #

  • Applications

    1,2,3,4-Tetramethylcyclohexane (CAS 3726-45-2) is used primarily as a nonpolar solvent and diluent in coatings, paints, and inks, helping to adjust viscosity and evaporation characteristics. It also serves as a cleaning and degreasing solvent in metalworking and equipment maintenance. As an organic synthesis intermediate, it can be used to prepare other cycloalkane derivatives. In plastics and rubber processing, it can act as a solvent or processing aid, facilitating polymer formulation and handling.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 287.38
    methanol 172.29
    isopropanol 312.59
    water 0.14
    ethyl acetate 730.73
    n-propanol 383.61
    acetone 522.12
    n-butanol 466.47
    acetonitrile 428.63
    DMF 352.73
    toluene 653.27
    isobutanol 323.73
    1,4-dioxane 1317.58
    methyl acetate 561.79
    THF 2284.13
    2-butanone 680.3
    n-pentanol 290.19
    sec-butanol 367.57
    n-hexane 583.81
    ethylene glycol 20.73
    NMP 560.18
    cyclohexane 767.99
    DMSO 276.51
    n-butyl acetate 1669.41
    n-octanol 363.58
    chloroform 1519.63
    n-propyl acetate 573.22
    acetic acid 146.85
    dichloromethane 1282.21
    cyclohexanone 1168.19
    propylene glycol 47.05
    isopropyl acetate 573.6
    DMAc 358.42
    2-ethoxyethanol 258.28
    isopentanol 430.53
    n-heptane 845.0
    ethyl formate 353.14
    1,2-dichloroethane 947.92
    n-hexanol 855.13
    2-methoxyethanol 319.65
    isobutyl acetate 433.06
    tetrachloromethane 623.41
    n-pentyl acetate 636.5
    transcutol 915.34
    n-heptanol 397.08
    ethylbenzene 348.11
    MIBK 486.58
    2-propoxyethanol 761.08
    tert-butanol 488.19
    MTBE 935.28
    2-butoxyethanol 441.51
    propionic acid 217.53
    o-xylene 422.35
    formic acid 22.77
    diethyl ether 1190.83
    m-xylene 462.81
    p-xylene 426.32
    chlorobenzene 673.07
    dimethyl carbonate 145.22
    n-octane 273.2
    formamide 43.13
    cyclopentanone 1270.3
    2-pentanone 702.26
    anisole 462.11
    cyclopentyl methyl ether 1220.52
    gamma-butyrolactone 1069.5
    1-methoxy-2-propanol 318.15
    pyridine 952.68
    3-pentanone 610.33
    furfural 646.68
    n-dodecane 139.2
    diethylene glycol 214.92
    diisopropyl ether 551.25
    tert-amyl alcohol 446.74
    acetylacetone 532.92
    n-hexadecane 161.92
    acetophenone 348.39
    methyl propionate 453.27
    isopentyl acetate 1233.87
    trichloroethylene 1228.35
    n-nonanol 343.67
    cyclohexanol 539.33
    benzyl alcohol 223.96
    2-ethylhexanol 806.51
    isooctanol 362.82
    dipropyl ether 1689.29
    1,2-dichlorobenzene 619.38
    ethyl lactate 160.06
    propylene carbonate 605.89
    n-methylformamide 175.15
    2-pentanol 397.51
    n-pentane 482.74
    1-propoxy-2-propanol 839.97
    1-methoxy-2-propyl acetate 727.47
    2-(2-methoxypropoxy) propanol 333.24
    mesitylene 386.66
    ε-caprolactone 951.31
    p-cymene 471.8
    epichlorohydrin 1103.11
    1,1,1-trichloroethane 1188.27
    2-aminoethanol 71.06
    morpholine-4-carbaldehyde 565.84
    sulfolane 854.23
    2,2,4-trimethylpentane 215.9
    2-methyltetrahydrofuran 1654.0
    n-hexyl acetate 741.6
    isooctane 218.03
    2-(2-butoxyethoxy)ethanol 453.96
    sec-butyl acetate 438.25
    tert-butyl acetate 641.26
    decalin 305.62
    glycerin 56.84
    diglyme 850.95
    acrylic acid 130.44
    isopropyl myristate 373.43
    n-butyric acid 480.87
    acetyl acetate 394.5
    di(2-ethylhexyl) phthalate 198.95
    ethyl propionate 504.47
    nitromethane 295.45
    1,2-diethoxyethane 1106.91
    benzonitrile 471.59
    trioctyl phosphate 194.83
    1-bromopropane 1038.1
    gamma-valerolactone 1059.63
    n-decanol 267.53
    triethyl phosphate 356.38
    4-methyl-2-pentanol 284.13
    propionitrile 604.98
    vinylene carbonate 484.43
    1,1,2-trichlorotrifluoroethane 382.2
    DMS 356.91
    cumene 280.6
    2-octanol 306.92
    2-hexanone 620.95
    octyl acetate 392.61
    limonene 766.07
    1,2-dimethoxyethane 809.61
    ethyl orthosilicate 387.78
    tributyl phosphate 254.25
    diacetone alcohol 410.13
    N,N-dimethylaniline 321.64
    acrylonitrile 455.56
    aniline 450.41
    1,3-propanediol 154.65
    bromobenzene 847.81
    dibromomethane 1097.61
    1,1,2,2-tetrachloroethane 1069.25
    2-methyl-cyclohexyl acetate 631.06
    tetrabutyl urea 284.98
    diisobutyl methanol 533.02
    2-phenylethanol 449.81
    styrene 397.91
    dioctyl adipate 335.53
    dimethyl sulfate 176.04
    ethyl butyrate 1059.24
    methyl lactate 119.92
    butyl lactate 328.38
    diethyl carbonate 554.89
    propanediol butyl ether 227.6
    triethyl orthoformate 761.18
    p-tert-butyltoluene 481.21
    methyl 4-tert-butylbenzoate 382.11
    morpholine 1178.24
    tert-butylamine 497.75
    n-dodecanol 220.79
    dimethoxymethane 432.23
    ethylene carbonate 502.75
    cyrene 232.05
    2-ethoxyethyl acetate 545.98
    2-ethylhexyl acetate 1137.18
    1,2,4-trichlorobenzene 579.19
    4-methylpyridine 910.73
    dibutyl ether 1000.31
    2,6-dimethyl-4-heptanol 533.02
    DEF 618.7
    dimethyl isosorbide 724.69
    tetrachloroethylene 771.81
    eugenol 281.39
    triacetin 352.44
    span 80 320.0
    1,4-butanediol 58.93
    1,1-dichloroethane 971.92
    2-methyl-1-pentanol 300.8
    methyl formate 153.0
    2-methyl-1-butanol 408.77
    n-decane 259.9
    butyronitrile 743.32
    3,7-dimethyl-1-octanol 450.81
    1-chlorooctane 517.02
    1-chlorotetradecane 219.32
    n-nonane 289.4
    undecane 180.7
    tert-butylcyclohexane 309.71
    cyclooctane 405.16
    cyclopentanol 506.84
    tetrahydropyran 1696.58
    tert-amyl methyl ether 689.24
    2,5,8-trioxanonane 534.95
    1-hexene 890.67
    2-isopropoxyethanol 256.32
    2,2,2-trifluoroethanol 61.35
    methyl butyrate 605.3

    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