1,2,4-Trimethylcyclohexane

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  • Identifiers

    CAS number
    2234-75-5

    Molecular formula
    C9H18

    SMILES
    CC1CCC(C(C1)C)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Citrus 50.36%
    Woody 42.82%
    Fresh 42.81%
    Herbal 42.76%
    Spicy 35.98%
    Sweet 33.9%
    Pine 33.89%
    Terpenic 33.51%
    Lemon 30.96%
    Mint 28.66%

     

    Flavor
    Sweet 31.57%
    Woody 28.62%
    Pine 26.41%
    Camphor 24.53%
    Dry 24.18%
    Fir needle 22.03%
    Old paper 22.0%
    Terpenic 20.82%
    Wood 20.44%
    Mentholic 20.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    10.18 (weak base)

    Molecular weight
    126.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    142°C

    Flash point

    • 29.45 ˚C est.

  • Synonyms

    • 1,2,4-Trimethylcyclohexane
    • 2234-75-5
    • DTXSID60862883
    • RefChem:906653
    • DTXCID10811588
    • 218-783-4
    • Cyclohexane, 1,2,4-trimethyl-
    • MFCD00019385
    • 1678-80-4
    • 7667-60-9
    • Cis,trans,trans-1,2,4-trimethylcyclohexane
    • CIS,TRANS,CIS-1,2,4-TRIMETHYLCYCLOHEXANE
    • 7667-59-6
    • Cyclohexane, 1,2,4-trimethyl-, (1alpha,2beta,4beta)-
    • EINECS 218-783-4
    • NSC 18907
    • AI3-18880
    • 1,4-Trimethylcyclohexane
    • Cyclohexane,2,4-trimethyl-
    • SCHEMBL134313
    • SCHEMBL1067391
    • SCHEMBL1171402
    • SCHEMBL1438613
    • SCHEMBL6026221
    • SCHEMBL7546292
    • SCHEMBL8164185
    • SCHEMBL9766018
    • SCHEMBL9948906
    • SCHEMBL15012761
    • SCHEMBL21802644
    • NSC18907
    • LMFA11000635
    • NSC 73967
    • NSC-18907
    • AKOS015903384
    • SY057983
    • (1S,2r,4s)-1,2,4-trimethylcyclohexane
    • DB-045874
    • DS-015932
    • CS-0450064
    • NS00048624
    • T0825
    • 2234-75-5

  • Applications

    1,2,4-Trimethylcyclohexane (CAS 2234-75-5) is typically used as a non-polar solvent or processing medium in various industrial manufacturing steps, serving as a reaction solvent or diluent for organic synthesis. It can function as an intermediate for the preparation of cyclic hydrocarbon derivatives. In coatings, inks, and adhesives, it may act as a solvent or carrier to adjust viscosity and drying characteristics. In perfumery and fragrance applications, it can be employed as a fragrance solvent or odor carrier, sometimes contributing to the scent profile indirectly. In cosmetics and personal care formulations, it may be used as a hydrocarbon solvent carrier for active ingredients or formulation stability, subject to formulation limits and regulatory constraints. Its use is governed by local regulations and industry standards.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 827.37
    methanol 387.75
    isopropanol 897.75
    water 0.09
    ethyl acetate 1806.98
    n-propanol 993.03
    acetone 1160.67
    n-butanol 1261.12
    acetonitrile 930.51
    DMF 539.04
    toluene 1185.85
    isobutanol 812.3
    1,4-dioxane 2246.13
    methyl acetate 1143.59
    THF 3782.12
    2-butanone 1531.53
    n-pentanol 754.51
    sec-butanol 1059.57
    n-hexane 1495.22
    ethylene glycol 41.93
    NMP 619.6
    cyclohexane 1475.24
    DMSO 536.59
    n-butyl acetate 4039.16
    n-octanol 756.64
    chloroform 2592.36
    n-propyl acetate 1194.02
    acetic acid 288.22
    dichloromethane 1994.7
    cyclohexanone 1979.26
    propylene glycol 115.16
    isopropyl acetate 1282.97
    DMAc 524.72
    2-ethoxyethanol 537.21
    isopentanol 1183.49
    n-heptane 1962.03
    ethyl formate 676.97
    1,2-dichloroethane 1447.41
    n-hexanol 2491.49
    2-methoxyethanol 737.14
    isobutyl acetate 857.56
    tetrachloromethane 819.45
    n-pentyl acetate 1097.08
    transcutol 2239.09
    n-heptanol 841.72
    ethylbenzene 561.12
    MIBK 1066.55
    2-propoxyethanol 1856.9
    tert-butanol 1421.09
    MTBE 2551.54
    2-butoxyethanol 871.12
    propionic acid 455.81
    o-xylene 619.63
    formic acid 35.34
    diethyl ether 2948.54
    m-xylene 783.31
    p-xylene 606.44
    chlorobenzene 965.99
    dimethyl carbonate 209.31
    n-octane 514.98
    formamide 61.05
    cyclopentanone 1882.18
    2-pentanone 1550.43
    anisole 734.01
    cyclopentyl methyl ether 2137.85
    gamma-butyrolactone 1458.35
    1-methoxy-2-propanol 837.5
    pyridine 1558.38
    3-pentanone 1210.06
    furfural 852.47
    n-dodecane 267.26
    diethylene glycol 481.88
    diisopropyl ether 1321.2
    tert-amyl alcohol 1216.07
    acetylacetone 1014.21
    n-hexadecane 307.25
    acetophenone 467.46
    methyl propionate 918.25
    isopentyl acetate 2791.22
    trichloroethylene 1808.01
    n-nonanol 706.26
    cyclohexanol 1127.82
    benzyl alcohol 364.11
    2-ethylhexanol 2064.96
    isooctanol 708.15
    dipropyl ether 3854.3
    1,2-dichlorobenzene 763.62
    ethyl lactate 267.42
    propylene carbonate 894.55
    n-methylformamide 279.99
    2-pentanol 1132.22
    n-pentane 1191.96
    1-propoxy-2-propanol 2125.65
    1-methoxy-2-propyl acetate 1553.72
    2-(2-methoxypropoxy) propanol 609.72
    mesitylene 596.63
    ε-caprolactone 1588.76
    p-cymene 741.8
    epichlorohydrin 1690.0
    1,1,1-trichloroethane 1934.79
    2-aminoethanol 153.79
    morpholine-4-carbaldehyde 779.03
    sulfolane 1017.64
    2,2,4-trimethylpentane 426.61
    2-methyltetrahydrofuran 3041.91
    n-hexyl acetate 1317.29
    isooctane 501.91
    2-(2-butoxyethoxy)ethanol 977.55
    sec-butyl acetate 892.35
    tert-butyl acetate 1369.48
    decalin 497.45
    glycerin 116.03
    diglyme 1552.5
    acrylic acid 226.91
    isopropyl myristate 630.05
    n-butyric acid 1127.21
    acetyl acetate 732.91
    di(2-ethylhexyl) phthalate 287.4
    ethyl propionate 975.21
    nitromethane 518.26
    1,2-diethoxyethane 2457.3
    benzonitrile 707.0
    trioctyl phosphate 303.8
    1-bromopropane 2194.77
    gamma-valerolactone 1603.4
    n-decanol 565.01
    triethyl phosphate 491.53
    4-methyl-2-pentanol 773.26
    propionitrile 1360.36
    vinylene carbonate 639.38
    1,1,2-trichlorotrifluoroethane 583.19
    DMS 489.89
    cumene 400.13
    2-octanol 611.55
    2-hexanone 1286.0
    octyl acetate 683.84
    limonene 1381.98
    1,2-dimethoxyethane 1585.6
    ethyl orthosilicate 584.03
    tributyl phosphate 398.67
    diacetone alcohol 856.14
    N,N-dimethylaniline 463.08
    acrylonitrile 887.82
    aniline 819.24
    1,3-propanediol 338.78
    bromobenzene 1205.22
    dibromomethane 1846.03
    1,1,2,2-tetrachloroethane 1616.58
    2-methyl-cyclohexyl acetate 993.42
    tetrabutyl urea 434.8
    diisobutyl methanol 1128.33
    2-phenylethanol 799.07
    styrene 653.8
    dioctyl adipate 508.36
    dimethyl sulfate 215.26
    ethyl butyrate 2183.84
    methyl lactate 213.86
    butyl lactate 559.62
    diethyl carbonate 962.19
    propanediol butyl ether 485.04
    triethyl orthoformate 1337.4
    p-tert-butyltoluene 745.12
    methyl 4-tert-butylbenzoate 496.87
    morpholine 2234.4
    tert-butylamine 1457.95
    n-dodecanol 469.19
    dimethoxymethane 818.65
    ethylene carbonate 731.39
    cyrene 308.59
    2-ethoxyethyl acetate 939.17
    2-ethylhexyl acetate 2381.21
    1,2,4-trichlorobenzene 727.8
    4-methylpyridine 1549.18
    dibutyl ether 2213.99
    2,6-dimethyl-4-heptanol 1128.33
    DEF 1125.05
    dimethyl isosorbide 1017.71
    tetrachloroethylene 1034.39
    eugenol 401.66
    triacetin 541.44
    span 80 625.49
    1,4-butanediol 114.53
    1,1-dichloroethane 1879.81
    2-methyl-1-pentanol 724.37
    methyl formate 208.77
    2-methyl-1-butanol 1047.36
    n-decane 486.61
    butyronitrile 1796.62
    3,7-dimethyl-1-octanol 1012.52
    1-chlorooctane 959.46
    1-chlorotetradecane 392.03
    n-nonane 556.1
    undecane 345.87
    tert-butylcyclohexane 521.14
    cyclooctane 695.22
    cyclopentanol 949.2
    tetrahydropyran 3453.31
    tert-amyl methyl ether 1594.53
    2,5,8-trioxanonane 898.29
    1-hexene 2202.31
    2-isopropoxyethanol 556.65
    2,2,2-trifluoroethanol 79.96
    methyl butyrate 1210.89

    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