1,1-Dimethylcyclohexane

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  • Identifiers

    CAS number
    590-66-9

    Molecular formula
    C8H16

    SMILES
    CC1(CCCCC1)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Sweet 63.57%
    Woody 56.67%
    Green 43.09%
    Dry 41.99%
    Amber 35.69%
    Musk 34.17%
    Camphoreous 33.19%
    Cedar 27.41%
    Fresh 26.91%
    Pine 26.74%

     

    Flavor
    Sweet 39.25%
    Alkane 30.76%
    Dry 29.86%
    Camphor 28.21%
    Old paper 22.78%
    Pine 22.7%
    Earthy 21.8%
    Woody 21.5%
    Terpenic 20.4%
    Soil 19.83%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    10.0 (weak base)

    Molecular weight
    112.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    115°C

    Flash point

    • 9.14 ˚C est.

  • Synonyms

    • 1,1-Dimethylcyclohexane
    • 590-66-9
    • gem-Dimethylcyclohexane
    • Cyclohexane, 1,1-dimethyl-
    • 2MEV4299RC
    • NSC-74156
    • DTXSID1074832
    • RefChem:1051793
    • DTXCID2042517
    • 209-687-3
    • DIMETHYLCYCLOHEXANE
    • 1,1-dimethyl-cyclohexane
    • 27195-67-1
    • Cyclohexane, dimethyl-
    • 1,1-DIMETHYL CYCLOHEXANE
    • Dimethylcyclohexanes
    • EINECS 209-687-3
    • NSC 74156
    • 3,3-dimethylcyclohexane
    • 4,4-dimethylcyclohexane
    • Cyclohexane,1-dimethyl-
    • AI3-28793
    • SCHEMBL4469
    • UNII-2MEV4299RC
    • SCHEMBL42989
    • SCHEMBL129550
    • SCHEMBL144218
    • SCHEMBL187192
    • SCHEMBL193409
    • SCHEMBL322551
    • SCHEMBL345338
    • SCHEMBL772165
    • SCHEMBL1178649
    • SCHEMBL1178731
    • SCHEMBL3592141
    • SCHEMBL4293755
    • SCHEMBL4949315
    • SCHEMBL5513302
    • SCHEMBL8073182
    • 1,1-Dimethylcyclohexane, 99%
    • SCHEMBL10746696
    • CHEBI:229279
    • NSC74156
    • MFCD00001499
    • AKOS015907015
    • NS00034074
    • Dimethylcyclohexanes [UN2263] [Flammable liquid]
    • Q24702742
    • InChI=1/C8H16/c1-8(2)6-4-3-5-7-8/h3-7H2,1-2H
    • 590-66-9

  • Applications

    1,1-Dimethylcyclohexane (CAS 590-66-9) is a nonpolar aliphatic hydrocarbon used as a solvent and diluent in coatings and paints, inks, and adhesives; it is also employed in cleaning and degreasing formulations in industrial processes. It can serve as a processing solvent and feedstock in plastics and polymer manufacturing and may appear as a component in industrial solvent blends and formulation matrices. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 242.4
    methanol 165.21
    isopropanol 204.4
    water 0.1
    ethyl acetate 610.97
    n-propanol 280.2
    acetone 265.68
    n-butanol 381.73
    acetonitrile 188.69
    DMF 174.06
    toluene 409.82
    isobutanol 197.82
    1,4-dioxane 726.34
    methyl acetate 348.06
    THF 1345.53
    2-butanone 417.76
    n-pentanol 232.06
    sec-butanol 283.2
    n-hexane 608.4
    ethylene glycol 19.35
    NMP 306.15
    cyclohexane 654.48
    DMSO 149.83
    n-butyl acetate 1429.89
    n-octanol 288.6
    chloroform 960.5
    n-propyl acetate 354.67
    acetic acid 120.68
    dichloromethane 667.49
    cyclohexanone 604.24
    propylene glycol 50.71
    isopropyl acetate 477.37
    DMAc 224.26
    2-ethoxyethanol 180.66
    isopentanol 335.01
    n-heptane 1160.26
    ethyl formate 192.74
    1,2-dichloroethane 443.47
    n-hexanol 925.83
    2-methoxyethanol 258.08
    isobutyl acetate 300.9
    tetrachloromethane 278.62
    n-pentyl acetate 418.39
    transcutol 992.11
    n-heptanol 325.92
    ethylbenzene 204.27
    MIBK 343.8
    2-propoxyethanol 717.27
    tert-butanol 313.23
    MTBE 627.52
    2-butoxyethanol 338.17
    propionic acid 162.65
    o-xylene 247.31
    formic acid 20.51
    diethyl ether 974.34
    m-xylene 276.23
    p-xylene 227.36
    chlorobenzene 332.89
    dimethyl carbonate 93.03
    n-octane 273.32
    formamide 27.86
    cyclopentanone 620.11
    2-pentanone 479.81
    anisole 264.45
    cyclopentyl methyl ether 808.29
    gamma-butyrolactone 505.06
    1-methoxy-2-propanol 286.97
    pyridine 484.06
    3-pentanone 430.21
    furfural 324.63
    n-dodecane 135.95
    diethylene glycol 203.73
    diisopropyl ether 471.71
    tert-amyl alcohol 330.96
    acetylacetone 344.26
    n-hexadecane 152.85
    acetophenone 188.78
    methyl propionate 345.69
    isopentyl acetate 1011.66
    trichloroethylene 605.25
    n-nonanol 297.72
    cyclohexanol 365.98
    benzyl alcohol 131.96
    2-ethylhexanol 827.78
    isooctanol 255.85
    dipropyl ether 1749.6
    1,2-dichlorobenzene 283.62
    ethyl lactate 111.27
    propylene carbonate 349.94
    n-methylformamide 88.15
    2-pentanol 330.73
    n-pentane 490.15
    1-propoxy-2-propanol 885.01
    1-methoxy-2-propyl acetate 753.47
    2-(2-methoxypropoxy) propanol 332.1
    mesitylene 218.23
    ε-caprolactone 566.01
    p-cymene 337.06
    epichlorohydrin 548.91
    1,1,1-trichloroethane 624.76
    2-aminoethanol 65.24
    morpholine-4-carbaldehyde 320.92
    sulfolane 379.68
    2,2,4-trimethylpentane 176.2
    2-methyltetrahydrofuran 1062.44
    n-hexyl acetate 542.45
    isooctane 174.24
    2-(2-butoxyethoxy)ethanol 474.22
    sec-butyl acetate 328.27
    tert-butyl acetate 528.31
    decalin 232.01
    glycerin 55.59
    diglyme 679.11
    acrylic acid 91.65
    isopropyl myristate 309.29
    n-butyric acid 382.83
    acetyl acetate 314.64
    di(2-ethylhexyl) phthalate 154.32
    ethyl propionate 367.16
    nitromethane 159.5
    1,2-diethoxyethane 972.66
    benzonitrile 217.9
    trioctyl phosphate 147.43
    1-bromopropane 704.35
    gamma-valerolactone 553.4
    n-decanol 243.67
    triethyl phosphate 270.16
    4-methyl-2-pentanol 236.0
    propionitrile 323.02
    vinylene carbonate 240.71
    1,1,2-trichlorotrifluoroethane 245.75
    DMS 238.62
    cumene 153.25
    2-octanol 222.43
    2-hexanone 373.53
    octyl acetate 338.63
    limonene 643.15
    1,2-dimethoxyethane 439.05
    ethyl orthosilicate 321.18
    tributyl phosphate 211.74
    diacetone alcohol 304.52
    N,N-dimethylaniline 180.89
    acrylonitrile 212.76
    aniline 277.99
    1,3-propanediol 121.1
    bromobenzene 413.04
    dibromomethane 625.8
    1,1,2,2-tetrachloroethane 589.2
    2-methyl-cyclohexyl acetate 503.03
    tetrabutyl urea 224.05
    diisobutyl methanol 454.11
    2-phenylethanol 317.17
    styrene 231.11
    dioctyl adipate 272.31
    dimethyl sulfate 89.11
    ethyl butyrate 882.0
    methyl lactate 98.03
    butyl lactate 233.96
    diethyl carbonate 436.47
    propanediol butyl ether 192.49
    triethyl orthoformate 660.38
    p-tert-butyltoluene 336.53
    methyl 4-tert-butylbenzoate 253.72
    morpholine 736.21
    tert-butylamine 351.96
    n-dodecanol 210.13
    dimethoxymethane 289.75
    ethylene carbonate 255.2
    cyrene 147.82
    2-ethoxyethyl acetate 408.4
    2-ethylhexyl acetate 942.8
    1,2,4-trichlorobenzene 290.62
    4-methylpyridine 444.87
    dibutyl ether 946.84
    2,6-dimethyl-4-heptanol 454.11
    DEF 420.04
    dimethyl isosorbide 536.87
    tetrachloroethylene 374.91
    eugenol 182.3
    triacetin 295.19
    span 80 343.25
    1,4-butanediol 40.16
    1,1-dichloroethane 521.02
    2-methyl-1-pentanol 222.11
    methyl formate 66.4
    2-methyl-1-butanol 302.28
    n-decane 246.42
    butyronitrile 426.66
    3,7-dimethyl-1-octanol 395.21
    1-chlorooctane 421.89
    1-chlorotetradecane 192.54
    n-nonane 277.48
    undecane 175.54
    tert-butylcyclohexane 225.27
    cyclooctane 334.93
    cyclopentanol 311.26
    tetrahydropyran 1163.29
    tert-amyl methyl ether 562.83
    2,5,8-trioxanonane 467.76
    1-hexene 733.37
    2-isopropoxyethanol 189.8
    2,2,2-trifluoroethanol 35.31
    methyl butyrate 387.23

    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