1,1,3,5-Tetramethylcyclohexane

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  • Identifiers

    CAS number
    4306-65-4

    Molecular formula
    C10H20

    SMILES
    CC1CC(CC(C1)(C)C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Green 59.75%
    Woody 51.99%
    Herbal 50.44%
    Sweet 50.41%
    Spicy 46.35%
    Fresh 42.62%
    Citrus 42.24%
    Camphoreous 37.46%
    Mint 36.37%
    Earthy 35.13%

     

    Flavor
    Woody 49.55%
    Sweet 44.12%
    Camphor 36.82%
    Dry 33.67%
    Earthy 32.62%
    Pine 31.36%
    Spicy 24.76%
    Herbal 24.62%
    Old paper 23.84%
    Musty 22.76%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    10.11 (weak base)

    Molecular weight
    140.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    154°C

    Flash point

    • 39.77 ˚C est.

  • Synonyms

    • 1,1,3,5-Tetramethylcyclohexane
    • 4306-65-4
    • DTXSID00871393
    • RefChem:409641
    • DTXCID30819061
    • 691-529-1
    • MFCD00060820
    • Cyclohexane, 1,1,3,5-tetramethyl-
    • 1,1,3,5-Tetramethyl cyclohexane
    • cis-1,1,3,5-Tetramethylcyclohexne
    • Cyclohexne, 1,1,3,5-tetramethyl-, cis-
    • Cyclohexane, 1,1,3,5-tetramethyl-, (3R,5R)-rel-
    • SCHEMBL597801
    • SCHEMBL2529969
    • SCHEMBL5918165
    • SCHEMBL6554381
    • SCHEMBL10365205
    • SCHEMBL10581718
    • AKOS025295321
    • SY054528
    • CS-0452485
    • T1717
    • D92511
    • 4306-65-4

  • Applications

    1,1,3,5-Tetramethylcyclohexane (CAS 4306-65-4) is a non-polar, saturated hydrocarbon used primarily as a specialty solvent and diluent in industrial formulations. It serves as a processing solvent in coatings, inks and cleaning formulations, owing to its stability and low reactivity. The compound also functions as a chemical intermediate or feedstock for the synthesis of higher-value cyclic hydrocarbons and certain polymers. In lubricants and petroleum blends, it can act as a non-polar component or diluent. In analytical laboratories, it may be employed as a reference standard or calibration material for GC methods. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 835.71
    methanol 705.86
    isopropanol 723.19
    water 0.37
    ethyl acetate 1494.24
    n-propanol 886.33
    acetone 1103.52
    n-butanol 1189.29
    acetonitrile 661.95
    DMF 594.53
    toluene 1243.53
    isobutanol 816.67
    1,4-dioxane 2053.15
    methyl acetate 1081.99
    THF 4301.17
    2-butanone 1317.12
    n-pentanol 692.75
    sec-butanol 877.12
    n-hexane 1962.94
    ethylene glycol 70.67
    NMP 1134.17
    cyclohexane 2537.77
    DMSO 486.81
    n-butyl acetate 3087.75
    n-octanol 1028.35
    chloroform 1749.54
    n-propyl acetate 904.67
    acetic acid 465.64
    dichloromethane 1395.03
    cyclohexanone 2371.01
    propylene glycol 145.73
    isopropyl acetate 1211.08
    DMAc 671.84
    2-ethoxyethanol 423.63
    isopentanol 1146.12
    n-heptane 2918.26
    ethyl formate 594.72
    1,2-dichloroethane 1121.89
    n-hexanol 2936.28
    2-methoxyethanol 720.19
    isobutyl acetate 799.81
    tetrachloromethane 635.05
    n-pentyl acetate 1063.06
    transcutol 1661.31
    n-heptanol 1001.0
    ethylbenzene 590.13
    MIBK 1067.74
    2-propoxyethanol 1776.9
    tert-butanol 1219.67
    MTBE 2316.24
    2-butoxyethanol 798.9
    propionic acid 515.35
    o-xylene 756.07
    formic acid 87.37
    diethyl ether 2500.76
    m-xylene 922.99
    p-xylene 691.96
    chlorobenzene 1025.48
    dimethyl carbonate 288.9
    n-octane 732.62
    formamide 90.23
    cyclopentanone 2093.94
    2-pentanone 1400.01
    anisole 637.86
    cyclopentyl methyl ether 2878.31
    gamma-butyrolactone 1705.42
    1-methoxy-2-propanol 693.86
    pyridine 1077.27
    3-pentanone 1210.62
    furfural 915.26
    n-dodecane 392.58
    diethylene glycol 502.05
    diisopropyl ether 1428.84
    tert-amyl alcohol 1225.29
    acetylacetone 970.44
    n-hexadecane 445.89
    acetophenone 466.12
    methyl propionate 1000.44
    isopentyl acetate 2716.86
    trichloroethylene 1426.37
    n-nonanol 915.72
    cyclohexanol 1556.74
    benzyl alcohol 345.06
    2-ethylhexanol 2562.13
    isooctanol 824.53
    dipropyl ether 3375.24
    1,2-dichlorobenzene 700.3
    ethyl lactate 249.86
    propylene carbonate 1141.32
    n-methylformamide 334.5
    2-pentanol 1035.59
    n-pentane 1477.54
    1-propoxy-2-propanol 1803.41
    1-methoxy-2-propyl acetate 1648.66
    2-(2-methoxypropoxy) propanol 605.21
    mesitylene 736.78
    ε-caprolactone 1922.2
    p-cymene 917.26
    epichlorohydrin 1589.3
    1,1,1-trichloroethane 1480.28
    2-aminoethanol 195.73
    morpholine-4-carbaldehyde 937.27
    sulfolane 1336.9
    2,2,4-trimethylpentane 679.85
    2-methyltetrahydrofuran 3675.18
    n-hexyl acetate 1674.05
    isooctane 684.09
    2-(2-butoxyethoxy)ethanol 820.76
    sec-butyl acetate 784.07
    tert-butyl acetate 1489.84
    decalin 829.16
    glycerin 155.88
    diglyme 1321.7
    acrylic acid 296.9
    isopropyl myristate 753.53
    n-butyric acid 1005.86
    acetyl acetate 755.66
    di(2-ethylhexyl) phthalate 375.22
    ethyl propionate 831.84
    nitromethane 565.35
    1,2-diethoxyethane 1599.64
    benzonitrile 585.11
    trioctyl phosphate 415.38
    1-bromopropane 1712.89
    gamma-valerolactone 1739.11
    n-decanol 697.64
    triethyl phosphate 493.64
    4-methyl-2-pentanol 764.31
    propionitrile 818.72
    vinylene carbonate 727.55
    1,1,2-trichlorotrifluoroethane 608.2
    DMS 652.07
    cumene 473.26
    2-octanol 739.39
    2-hexanone 1035.71
    octyl acetate 848.99
    limonene 1926.62
    1,2-dimethoxyethane 1132.85
    ethyl orthosilicate 592.18
    tributyl phosphate 519.17
    diacetone alcohol 908.17
    N,N-dimethylaniline 450.03
    acrylonitrile 565.52
    aniline 726.26
    1,3-propanediol 354.91
    bromobenzene 1156.18
    dibromomethane 1485.11
    1,1,2,2-tetrachloroethane 1229.58
    2-methyl-cyclohexyl acetate 1156.72
    tetrabutyl urea 579.76
    diisobutyl methanol 1216.86
    2-phenylethanol 822.56
    styrene 610.93
    dioctyl adipate 603.82
    dimethyl sulfate 289.3
    ethyl butyrate 1588.65
    methyl lactate 262.65
    butyl lactate 572.78
    diethyl carbonate 761.31
    propanediol butyl ether 512.42
    triethyl orthoformate 1160.37
    p-tert-butyltoluene 970.48
    methyl 4-tert-butylbenzoate 601.99
    morpholine 1974.54
    tert-butylamine 1282.49
    n-dodecanol 555.55
    dimethoxymethane 857.65
    ethylene carbonate 811.69
    cyrene 352.11
    2-ethoxyethyl acetate 924.31
    2-ethylhexyl acetate 2569.93
    1,2,4-trichlorobenzene 732.6
    4-methylpyridine 1338.44
    dibutyl ether 2128.35
    2,6-dimethyl-4-heptanol 1216.86
    DEF 1142.96
    dimethyl isosorbide 1076.91
    tetrachloroethylene 869.27
    eugenol 402.13
    triacetin 681.75
    span 80 667.54
    1,4-butanediol 128.6
    1,1-dichloroethane 1281.09
    2-methyl-1-pentanol 723.53
    methyl formate 300.37
    2-methyl-1-butanol 1075.22
    n-decane 760.29
    butyronitrile 1155.61
    3,7-dimethyl-1-octanol 1147.93
    1-chlorooctane 1278.89
    1-chlorotetradecane 504.63
    n-nonane 881.19
    undecane 529.22
    tert-butylcyclohexane 863.31
    cyclooctane 1323.2
    cyclopentanol 1183.19
    tetrahydropyran 3626.49
    tert-amyl methyl ether 1838.91
    2,5,8-trioxanonane 796.04
    1-hexene 2040.39
    2-isopropoxyethanol 429.64
    2,2,2-trifluoroethanol 130.08
    methyl butyrate 968.85

    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