1,2,3-Trimethylcyclohexane

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  • Identifiers

    CAS number
    1678-97-3

    Molecular formula
    C9H18

    SMILES
    CC1CCCC(C1C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Citrus 48.0%
    Woody 47.67%
    Fresh 44.94%
    Herbal 44.37%
    Pine 37.14%
    Spicy 36.56%
    Terpenic 34.17%
    Sweet 34.0%
    Dry 30.61%
    Camphoreous 29.32%

     

    Flavor
    Sweet 31.86%
    Woody 31.22%
    Pine 27.85%
    Camphor 25.33%
    Dry 24.78%
    Fir needle 23.16%
    Wood 22.41%
    Old paper 22.29%
    Terpenic 20.78%
    Spice 20.5%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    10.36 (weak base)

    Molecular weight
    126.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    144°C

    Flash point

    • 29.52 ˚C est.

  • Synonyms

    • 1,2,3-TRIMETHYLCYCLOHEXANE
    • 1678-97-3
    • EINECS 216-838-7
    • DTXSID10862732
    • RefChem:410863
    • DTXCID00811456
    • 216-838-7
    • Cyclohexane, 1,2,3-trimethyl-
    • MFCD00045496
    • cis,cis,cis-1,2,3-Trimethylcyclohexane
    • 1678-81-5
    • Cyclohexane, 1,2,3-trimethyl-, (1.alpha.,2.alpha.,3.alpha.)-
    • 1,2,3-Trimethylcyclohexane,cis
    • cis-1,2,3-Trimethylcyclohexane
    • 1,cis-2,cis-3-Trimethylcyclohexane
    • Cyclohexane, 1,2,3-trimethyl-, cis
    • SCHEMBL451346
    • 1,2,3-Trimethylcyclohexane-, (1.alpha.,2.alpha.,3.alpha.)- #
    • SCHEMBL2294964
    • SCHEMBL3029136
    • SCHEMBL5678857
    • SCHEMBL7560632
    • SCHEMBL7799129
    • SCHEMBL8216638
    • DB-043719
    • NS00046104
    • T0824
    • T71900
    • 1678-97-3

  • Applications

    1,2,3-Trimethylcyclohexane (CAS 1678-97-3) is primarily used as a non-polar hydrocarbon solvent and processing aid in industrial manufacturing; it serves as a non-polar diluent in coatings, inks, and adhesives; in polymer and plastics production it acts as a solvent or processing medium; it can appear as a carrier or diluent in fragrance and cosmetics formulations; and it is used in industrial cleaning formulations as a hydrocarbon solvent. It may also be encountered as an intermediate in chemical syntheses for various hydrocarbon-based products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 512.94
    methanol 304.03
    isopropanol 425.32
    water 0.09
    ethyl acetate 1177.23
    n-propanol 572.74
    acetone 645.02
    n-butanol 716.67
    acetonitrile 567.83
    DMF 288.1
    toluene 853.21
    isobutanol 401.88
    1,4-dioxane 1632.92
    methyl acetate 664.7
    THF 2865.3
    2-butanone 838.11
    n-pentanol 418.59
    sec-butanol 508.02
    n-hexane 796.73
    ethylene glycol 22.48
    NMP 482.64
    cyclohexane 1149.75
    DMSO 309.89
    n-butyl acetate 3037.48
    n-octanol 369.12
    chloroform 2064.23
    n-propyl acetate 746.21
    acetic acid 223.76
    dichloromethane 1903.76
    cyclohexanone 1356.68
    propylene glycol 50.96
    isopropyl acetate 785.49
    DMAc 282.1
    2-ethoxyethanol 332.54
    isopentanol 618.56
    n-heptane 1316.9
    ethyl formate 475.06
    1,2-dichloroethane 1257.9
    n-hexanol 1351.9
    2-methoxyethanol 464.93
    isobutyl acetate 510.88
    tetrachloromethane 722.86
    n-pentyl acetate 784.36
    transcutol 1638.22
    n-heptanol 452.35
    ethylbenzene 342.48
    MIBK 566.33
    2-propoxyethanol 1120.18
    tert-butanol 608.86
    MTBE 1274.38
    2-butoxyethanol 482.87
    propionic acid 273.26
    o-xylene 418.97
    formic acid 32.47
    diethyl ether 2110.37
    m-xylene 487.11
    p-xylene 390.21
    chlorobenzene 836.17
    dimethyl carbonate 120.19
    n-octane 307.62
    formamide 54.08
    cyclopentanone 1272.69
    2-pentanone 902.69
    anisole 474.55
    cyclopentyl methyl ether 1462.37
    gamma-butyrolactone 1072.26
    1-methoxy-2-propanol 396.44
    pyridine 1197.87
    3-pentanone 734.0
    furfural 732.27
    n-dodecane 138.78
    diethylene glycol 290.62
    diisopropyl ether 736.1
    tert-amyl alcohol 573.09
    acetylacetone 611.62
    n-hexadecane 161.52
    acetophenone 326.63
    methyl propionate 532.92
    isopentyl acetate 2012.99
    trichloroethylene 1560.98
    n-nonanol 358.98
    cyclohexanol 691.03
    benzyl alcohol 234.23
    2-ethylhexanol 1202.98
    isooctanol 389.65
    dipropyl ether 2775.29
    1,2-dichlorobenzene 655.77
    ethyl lactate 148.02
    propylene carbonate 656.87
    n-methylformamide 177.4
    2-pentanol 552.66
    n-pentane 731.95
    1-propoxy-2-propanol 1204.26
    1-methoxy-2-propyl acetate 1108.27
    2-(2-methoxypropoxy) propanol 383.96
    mesitylene 359.07
    ε-caprolactone 1119.36
    p-cymene 528.41
    epichlorohydrin 1264.21
    1,1,1-trichloroethane 1432.59
    2-aminoethanol 87.22
    morpholine-4-carbaldehyde 573.95
    sulfolane 759.16
    2,2,4-trimethylpentane 242.25
    2-methyltetrahydrofuran 2176.57
    n-hexyl acetate 808.97
    isooctane 247.4
    2-(2-butoxyethoxy)ethanol 579.38
    sec-butyl acetate 553.13
    tert-butyl acetate 844.27
    decalin 316.32
    glycerin 60.39
    diglyme 1049.37
    acrylic acid 142.09
    isopropyl myristate 393.02
    n-butyric acid 752.05
    acetyl acetate 539.23
    di(2-ethylhexyl) phthalate 199.2
    ethyl propionate 609.01
    nitromethane 346.67
    1,2-diethoxyethane 1997.1
    benzonitrile 520.39
    trioctyl phosphate 188.03
    1-bromopropane 1596.05
    gamma-valerolactone 1133.44
    n-decanol 280.29
    triethyl phosphate 388.87
    4-methyl-2-pentanol 341.05
    propionitrile 778.55
    vinylene carbonate 475.94
    1,1,2-trichlorotrifluoroethane 395.43
    DMS 342.56
    cumene 246.09
    2-octanol 311.59
    2-hexanone 737.15
    octyl acetate 419.62
    limonene 983.22
    1,2-dimethoxyethane 1024.47
    ethyl orthosilicate 468.01
    tributyl phosphate 286.49
    diacetone alcohol 447.29
    N,N-dimethylaniline 270.43
    acrylonitrile 523.92
    aniline 586.74
    1,3-propanediol 212.24
    bromobenzene 998.64
    dibromomethane 1630.14
    1,1,2,2-tetrachloroethane 1266.43
    2-methyl-cyclohexyl acetate 790.36
    tetrabutyl urea 297.28
    diisobutyl methanol 682.49
    2-phenylethanol 538.99
    styrene 422.07
    dioctyl adipate 362.53
    dimethyl sulfate 125.71
    ethyl butyrate 1657.59
    methyl lactate 110.89
    butyl lactate 348.72
    diethyl carbonate 763.89
    propanediol butyl ether 239.1
    triethyl orthoformate 1090.25
    p-tert-butyltoluene 516.4
    methyl 4-tert-butylbenzoate 323.65
    morpholine 1565.11
    tert-butylamine 657.49
    n-dodecanol 229.4
    dimethoxymethane 476.5
    ethylene carbonate 530.88
    cyrene 198.94
    2-ethoxyethyl acetate 726.78
    2-ethylhexyl acetate 1825.63
    1,2,4-trichlorobenzene 634.15
    4-methylpyridine 1094.59
    dibutyl ether 1363.23
    2,6-dimethyl-4-heptanol 682.49
    DEF 711.07
    dimethyl isosorbide 757.37
    tetrachloroethylene 914.61
    eugenol 248.8
    triacetin 375.96
    span 80 381.5
    1,4-butanediol 60.42
    1,1-dichloroethane 1242.92
    2-methyl-1-pentanol 406.35
    methyl formate 132.77
    2-methyl-1-butanol 552.89
    n-decane 262.41
    butyronitrile 1046.85
    3,7-dimethyl-1-octanol 510.99
    1-chlorooctane 522.58
    1-chlorotetradecane 219.15
    n-nonane 292.44
    undecane 181.57
    tert-butylcyclohexane 296.6
    cyclooctane 500.97
    cyclopentanol 564.8
    tetrahydropyran 2550.79
    tert-amyl methyl ether 874.59
    2,5,8-trioxanonane 651.77
    1-hexene 1234.12
    2-isopropoxyethanol 291.95
    2,2,2-trifluoroethanol 58.34
    methyl butyrate 718.27

    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