1,4-Dimethylcyclohexane

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  • Identifiers

    CAS number
    624-29-3

    Molecular formula
    C8H16

    SMILES
    CC1CCC(CC1)C

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

    Health Hazard
    Health

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Sweet 42.61%
    Citrus 42.11%
    Woody 30.3%
    Gassy 30.11%
    Dry 28.39%
    Lemon 25.62%
    Fresh 25.5%
    Musk 23.47%
    Amber 22.36%
    Pine 22.16%

     

    Flavor
    Alkane 23.44%
    Old paper 20.4%
    Terpenic 19.75%
    Soil 19.71%
    Beet 19.53%
    Dry 19.13%
    Fir needle 19.07%
    Sweet 18.57%
    Pine 18.54%
    Rotten 18.52%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    9.99 (weak base)

    Molecular weight
    112.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    119°C

    Flash point

    • 15.44 ˚C est.

  • Synonyms

    • cis-1,4-Dimethylcyclohexane
    • 1,4-DIMETHYLCYCLOHEXANE
    • trans-1,4-Dimethylcyclohexane
    • 624-29-3
    • 589-90-2
    • 2207-04-7
    • Hexahydroxylene
    • Cyclohexane, 1,4-dimethyl-, cis-
    • Cyclohexane, 1,4-dimethyl-
    • trans-Hexahydro-p-xylene
    • 1,cis-4-Dimethylcyclohexane
    • Hexahydro-p-xylene
    • Cyclohexane, 1,4-dimethyl-, trans-
    • 1,trans-4-Dimethylcyclohexane
    • p-Dimethylcyclohexane
    • 1,4-Dimethylcyclohexane, trans-
    • 1,4-dimethyl cyclohexane
    • 1,4-dimethyl-cyclohexane
    • EINECS 209-663-2
    • NSC 44845
    • 8NUV3O4B1R
    • 1,4-Dimethylcyclohexane, cis-
    • DTXSID5075284
    • CHEBI:165732
    • 4C75P10R7G
    • NSC-44845
    • NSC-74160
    • NSC-74162
    • 417GE5869Y
    • (1S,4S)-1,4-DIMETHYLCYCLOHEXANE
    • t-1,4-Dimethylcyclohexane
    • Cyclohexane, trans-1,4-dimethyl-
    • UNII-4C75P10R7G
    • UNII-417GE5869Y
    • 1,4-Dimethylcyclohexane, (Z)-
    • pDimethylcyclohexane
    • EINECS 210-840-1
    • MFCD00001508
    • MFCD00064174
    • MFCD00064955
    • NSC 74162
    • cis-p-hexahydroxylene
    • cis-hexahydro-p-xylene
    • trans-p-hexahydroxylene
    • Cyclohexane, 1,4dimethyl
    • UNII-8NUV3O4B1R
    • 1,4(cis)-dimethylcyclohexane
    • (Z)-1,4-dimethylcyclohexane
    • WLN: L6TJ A1 D1
    • 1,4(trans)-dimethylcyclohexane
    • Cyclohexane,4-dimethyl-, cis-
    • Trans-1,4 dimethyl cyclohexane
    • DTXCID1042497
    • Cyclohexane, cis-1,4-dimethyl-
    • Cyclohexane,4-dimethyl-, trans-
    • CHEBI:167602
    • CHEBI:167603
    • DTXSID301025608
    • DTXSID401015836
    • DTXSID401294608
    • Cyclohexane, 1,4-dimethyl-(8CI)
    • NSC44845
    • NSC74160
    • NSC74162
    • cis-1,4-Dimethylcyclohexane, 99%
    • EINECS 218-622-8
    • LMFA11000638
    • NSC 74160
    • AKOS015913044
    • AKOS015915844
    • AKOS024319569
    • Methyl, (4-methylcyclohexyl)-, cis-
    • TRANS-1,4-DIMETHYL-CYCLOHEXANE
    • 1,4-DIMETHYLCYCLOHEXANE (TRANS)
    • AS-46786
    • BS-52912
    • Cyclohexane, 1,4-dimethyl-(8CI)(9CI)
    • LS-13501
    • (1R,4R)-1,4-DIMETHYLCYCLOHEXANE
    • CYCLOHEXANE, 1,4-DIMETHYL-, (E)
    • CYCLOHEXANE, 1,4-DIMETHYL-, (Z)
    • DB-054159
    • CS-0199036
    • CS-0454408
    • D0271
    • D0700
    • D1715
    • NS00034057
    • NS00080358
    • NS00083319
    • D89704
    • D89914
    • F10496
    • 1,4Dimethylcyclohexane, mixture of cis and trans
    • trans-1,4-Dimethylcyclohexane, >=98.0% (GC)
    • Q27258413
    • Q27270796
    • 209-663-2
    • 98105-53-4

  • Applications

    1,4-Dimethylcyclohexane (CAS 624-29-3) is mainly used as a non-polar solvent in industrial manufacturing and cleaning, leveraging its hydrocarbon structure to dissolve non-polar substances. It also serves as a chemical intermediate for the synthesis of cycloalkane derivatives and is used as a processing solvent in coatings, inks, and adhesives. In polymer and plastics processing, it can function as a diluent or processing solvent in resin formulations. It may also be used as a reference material or analytical standard in analytical chemistry for hydrocarbon separations and related testing. Depending on local regulations and formulation specifics, its use may be restricted and require appropriate handling.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 97.14
    methanol 44.22
    isopropanol 133.23
    water 0.02
    ethyl acetate 398.62
    n-propanol 144.37
    acetone 251.75
    n-butanol 197.19
    acetonitrile 146.82
    DMF 179.91
    toluene 350.91
    isobutanol 136.43
    1,4-dioxane 485.36
    methyl acetate 285.72
    THF 1021.87
    2-butanone 374.6
    n-pentanol 124.67
    sec-butanol 189.97
    n-hexane 357.62
    ethylene glycol 10.14
    NMP 283.71
    cyclohexane 399.03
    DMSO 163.42
    n-butyl acetate 905.49
    n-octanol 196.81
    chloroform 922.86
    n-propyl acetate 282.38
    acetic acid 63.29
    dichloromethane 616.82
    cyclohexanone 550.98
    propylene glycol 32.69
    isopropyl acetate 324.67
    DMAc 217.2
    2-ethoxyethanol 105.97
    isopentanol 209.58
    n-heptane 584.85
    ethyl formate 137.96
    1,2-dichloroethane 423.0
    n-hexanol 430.22
    2-methoxyethanol 137.64
    isobutyl acetate 235.03
    tetrachloromethane 251.65
    n-pentyl acetate 282.98
    transcutol 553.48
    n-heptanol 193.37
    ethylbenzene 209.21
    MIBK 290.56
    2-propoxyethanol 385.55
    tert-butanol 248.98
    MTBE 498.74
    2-butoxyethanol 216.02
    propionic acid 105.06
    o-xylene 230.21
    formic acid 6.96
    diethyl ether 477.78
    m-xylene 253.23
    p-xylene 250.3
    chlorobenzene 338.97
    dimethyl carbonate 83.29
    n-octane 173.06
    formamide 12.96
    cyclopentanone 650.32
    2-pentanone 377.91
    anisole 268.74
    cyclopentyl methyl ether 575.44
    gamma-butyrolactone 535.75
    1-methoxy-2-propanol 191.79
    pyridine 452.33
    3-pentanone 342.01
    furfural 343.13
    n-dodecane 100.08
    diethylene glycol 108.66
    diisopropyl ether 267.7
    tert-amyl alcohol 266.19
    acetylacetone 346.52
    n-hexadecane 116.66
    acetophenone 202.38
    methyl propionate 252.06
    isopentyl acetate 726.41
    trichloroethylene 701.85
    n-nonanol 197.15
    cyclohexanol 241.02
    benzyl alcohol 122.4
    2-ethylhexanol 467.09
    isooctanol 178.57
    dipropyl ether 1012.75
    1,2-dichlorobenzene 316.07
    ethyl lactate 100.13
    propylene carbonate 363.89
    n-methylformamide 63.61
    2-pentanol 196.44
    n-pentane 229.58
    1-propoxy-2-propanol 543.32
    1-methoxy-2-propyl acetate 502.18
    2-(2-methoxypropoxy) propanol 233.94
    mesitylene 200.0
    ε-caprolactone 481.07
    p-cymene 291.0
    epichlorohydrin 558.44
    1,1,1-trichloroethane 695.95
    2-aminoethanol 32.18
    morpholine-4-carbaldehyde 264.39
    sulfolane 483.51
    2,2,4-trimethylpentane 117.4
    2-methyltetrahydrofuran 801.07
    n-hexyl acetate 401.46
    isooctane 121.03
    2-(2-butoxyethoxy)ethanol 310.83
    sec-butyl acetate 244.49
    tert-butyl acetate 393.02
    decalin 186.76
    glycerin 37.31
    diglyme 493.73
    acrylic acid 70.71
    isopropyl myristate 256.34
    n-butyric acid 232.82
    acetyl acetate 243.25
    di(2-ethylhexyl) phthalate 129.05
    ethyl propionate 284.08
    nitromethane 127.09
    1,2-diethoxyethane 558.94
    benzonitrile 230.1
    trioctyl phosphate 126.99
    1-bromopropane 563.24
    gamma-valerolactone 488.89
    n-decanol 162.65
    triethyl phosphate 228.83
    4-methyl-2-pentanol 155.93
    propionitrile 257.04
    vinylene carbonate 244.6
    1,1,2-trichlorotrifluoroethane 229.62
    DMS 208.99
    cumene 165.18
    2-octanol 155.67
    2-hexanone 330.33
    octyl acetate 260.59
    limonene 508.84
    1,2-dimethoxyethane 360.36
    ethyl orthosilicate 248.26
    tributyl phosphate 164.94
    diacetone alcohol 283.24
    N,N-dimethylaniline 188.13
    acrylonitrile 206.92
    aniline 212.89
    1,3-propanediol 64.25
    bromobenzene 464.46
    dibromomethane 566.43
    1,1,2,2-tetrachloroethane 692.43
    2-methyl-cyclohexyl acetate 378.77
    tetrabutyl urea 194.09
    diisobutyl methanol 334.73
    2-phenylethanol 250.85
    styrene 240.63
    dioctyl adipate 238.47
    dimethyl sulfate 110.3
    ethyl butyrate 619.16
    methyl lactate 81.06
    butyl lactate 192.38
    diethyl carbonate 345.47
    propanediol butyl ether 144.74
    triethyl orthoformate 436.47
    p-tert-butyltoluene 296.04
    methyl 4-tert-butylbenzoate 234.78
    morpholine 462.61
    tert-butylamine 250.11
    n-dodecanol 142.28
    dimethoxymethane 199.04
    ethylene carbonate 236.61
    cyrene 148.16
    2-ethoxyethyl acetate 273.89
    2-ethylhexyl acetate 655.67
    1,2,4-trichlorobenzene 325.05
    4-methylpyridine 441.99
    dibutyl ether 623.84
    2,6-dimethyl-4-heptanol 334.73
    DEF 315.36
    dimethyl isosorbide 479.53
    tetrachloroethylene 395.12
    eugenol 180.2
    triacetin 255.13
    span 80 246.69
    1,4-butanediol 24.98
    1,1-dichloroethane 555.45
    2-methyl-1-pentanol 151.44
    methyl formate 56.82
    2-methyl-1-butanol 193.35
    n-decane 171.52
    butyronitrile 316.35
    3,7-dimethyl-1-octanol 279.68
    1-chlorooctane 326.48
    1-chlorotetradecane 154.52
    n-nonane 190.99
    undecane 126.37
    tert-butylcyclohexane 181.89
    cyclooctane 215.92
    cyclopentanol 230.02
    tetrahydropyran 757.18
    tert-amyl methyl ether 397.78
    2,5,8-trioxanonane 352.74
    1-hexene 510.04
    2-isopropoxyethanol 127.05
    2,2,2-trifluoroethanol 24.6
    methyl butyrate 336.31

    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