1,3-Diethylcyclohexane

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  • Identifiers

    CAS number
    1678-99-5

    Molecular formula
    C10H20

    SMILES
    CCC1CCCC(C1)CC

  • Odor profile

    Fragrance
    Sweet 36.55%
    Citrus 35.51%
    Fresh 34.08%
    Gassy 31.24%
    Woody 29.72%
    Herbal 24.76%
    Lemon 23.22%
    Dry 23.13%
    Green 22.95%
    Mint 21.63%

     

    Flavor
    Sweet 28.44%
    Alkane 22.24%
    Terpenic 20.88%
    Mentholic 20.7%
    Old paper 20.67%
    Beet 20.37%
    Fresh 20.28%
    Soil 20.09%
    Terpentine 20.05%
    Pleasant 20.01%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    9.84 (weak base)

    Molecular weight
    140.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    173°C

    Flash point

    • 49.18 ˚C est.

  • Synonyms

    • 1,3-diethylcyclohexane
    • Cyclohexane, 1,3-diethyl
    • 1678-99-5
    • Cyclohexane, 1,3-diethyl-
    • DTXSID40333965
    • WJUNKQFLRQGJAR-UHFFFAOYSA-N

  • Applications

    1,3-Diethylcyclohexane is an aliphatic, non-polar hydrocarbon that is primarily used as an industrial solvent and as a chemical intermediate. In chemical manufacturing it acts as a solvent for organic synthesis and as a diluent in coatings, varnishes, and industrial inks. It is also employed as a precursor for the synthesis of cyclohexane derivatives and can serve as a cleaning or degreasing solvent in process streams. Its non-polar character supports additional processing and dilution applications, though actual usage depends on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 607.52
    methanol 195.5
    isopropanol 860.61
    water 0.02
    ethyl acetate 1800.59
    n-propanol 833.03
    acetone 1491.24
    n-butanol 1154.43
    acetonitrile 941.9
    DMF 730.49
    toluene 1872.21
    isobutanol 787.81
    1,4-dioxane 2806.15
    methyl acetate 1196.82
    THF 5625.71
    2-butanone 1759.9
    n-pentanol 688.79
    sec-butanol 1002.56
    n-hexane 1729.66
    ethylene glycol 27.25
    NMP 995.97
    cyclohexane 2970.91
    DMSO 789.98
    n-butyl acetate 4899.42
    n-octanol 841.09
    chloroform 3565.66
    n-propyl acetate 1374.83
    acetic acid 297.84
    dichloromethane 3396.37
    cyclohexanone 3282.69
    propylene glycol 88.56
    isopropyl acetate 1342.91
    DMAc 632.44
    2-ethoxyethanol 417.22
    isopentanol 1140.67
    n-heptane 3722.71
    ethyl formate 806.34
    1,2-dichloroethane 2443.21
    n-hexanol 2381.73
    2-methoxyethanol 579.08
    isobutyl acetate 958.41
    tetrachloromethane 1123.55
    n-pentyl acetate 1487.19
    transcutol 1858.69
    n-heptanol 937.65
    ethylbenzene 833.83
    MIBK 1223.48
    2-propoxyethanol 1518.55
    tert-butanol 1465.5
    MTBE 2429.05
    2-butoxyethanol 803.06
    propionic acid 466.73
    o-xylene 891.31
    formic acid 18.18
    diethyl ether 2859.27
    m-xylene 1078.68
    p-xylene 946.28
    chlorobenzene 1664.17
    dimethyl carbonate 233.61
    n-octane 852.0
    formamide 42.19
    cyclopentanone 2975.28
    2-pentanone 1898.14
    anisole 948.55
    cyclopentyl methyl ether 2926.75
    gamma-butyrolactone 2218.02
    1-methoxy-2-propanol 704.88
    pyridine 2564.67
    3-pentanone 1387.75
    furfural 1278.91
    n-dodecane 380.07
    diethylene glycol 334.82
    diisopropyl ether 1180.47
    tert-amyl alcohol 1239.8
    acetylacetone 1238.86
    n-hexadecane 454.8
    acetophenone 679.54
    methyl propionate 919.49
    isopentyl acetate 3597.73
    trichloroethylene 3026.73
    n-nonanol 782.51
    cyclohexanol 1642.62
    benzyl alcohol 427.88
    2-ethylhexanol 2538.53
    isooctanol 825.57
    dipropyl ether 5394.37
    1,2-dichlorobenzene 1306.78
    ethyl lactate 257.17
    propylene carbonate 1486.06
    n-methylformamide 275.42
    2-pentanol 1079.08
    n-pentane 1360.36
    1-propoxy-2-propanol 1988.72
    1-methoxy-2-propyl acetate 1725.92
    2-(2-methoxypropoxy) propanol 598.13
    mesitylene 795.55
    ε-caprolactone 2311.14
    p-cymene 1246.12
    epichlorohydrin 2642.32
    1,1,1-trichloroethane 3185.74
    2-aminoethanol 104.08
    morpholine-4-carbaldehyde 928.12
    sulfolane 1904.33
    2,2,4-trimethylpentane 463.42
    2-methyltetrahydrofuran 4489.73
    n-hexyl acetate 1676.85
    isooctane 474.32
    2-(2-butoxyethoxy)ethanol 860.36
    sec-butyl acetate 929.41
    tert-butyl acetate 1460.0
    decalin 780.0
    glycerin 86.07
    diglyme 1803.8
    acrylic acid 244.33
    isopropyl myristate 873.22
    n-butyric acid 1215.97
    acetyl acetate 819.37
    di(2-ethylhexyl) phthalate 399.12
    ethyl propionate 1063.37
    nitromethane 580.91
    1,2-diethoxyethane 2648.02
    benzonitrile 1092.28
    trioctyl phosphate 397.53
    1-bromopropane 3504.88
    gamma-valerolactone 2275.82
    n-decanol 596.88
    triethyl phosphate 701.91
    4-methyl-2-pentanol 676.65
    propionitrile 1433.7
    vinylene carbonate 1003.91
    1,1,2-trichlorotrifluoroethane 735.87
    DMS 577.19
    cumene 560.63
    2-octanol 725.62
    2-hexanone 1524.29
    octyl acetate 867.0
    limonene 2430.34
    1,2-dimethoxyethane 1743.55
    ethyl orthosilicate 763.95
    tributyl phosphate 541.3
    diacetone alcohol 871.08
    N,N-dimethylaniline 584.51
    acrylonitrile 1007.07
    aniline 1045.45
    1,3-propanediol 267.67
    bromobenzene 2166.25
    dibromomethane 3344.04
    1,1,2,2-tetrachloroethane 2600.46
    2-methyl-cyclohexyl acetate 1315.03
    tetrabutyl urea 650.61
    diisobutyl methanol 1472.46
    2-phenylethanol 860.4
    styrene 1005.89
    dioctyl adipate 810.84
    dimethyl sulfate 281.02
    ethyl butyrate 2908.46
    methyl lactate 211.01
    butyl lactate 632.85
    diethyl carbonate 1329.85
    propanediol butyl ether 415.04
    triethyl orthoformate 1760.3
    p-tert-butyltoluene 1152.15
    methyl 4-tert-butylbenzoate 675.95
    morpholine 2781.62
    tert-butylamine 1465.85
    n-dodecanol 504.36
    dimethoxymethane 885.53
    ethylene carbonate 1113.09
    cyrene 370.78
    2-ethoxyethyl acetate 1096.93
    2-ethylhexyl acetate 3122.43
    1,2,4-trichlorobenzene 1239.95
    4-methylpyridine 2440.21
    dibutyl ether 2908.64
    2,6-dimethyl-4-heptanol 1472.46
    DEF 1416.2
    dimethyl isosorbide 1297.71
    tetrachloroethylene 1568.46
    eugenol 471.36
    triacetin 682.11
    span 80 728.34
    1,4-butanediol 91.83
    1,1-dichloroethane 2889.27
    2-methyl-1-pentanol 684.99
    methyl formate 229.16
    2-methyl-1-butanol 965.32
    n-decane 738.56
    butyronitrile 2147.27
    3,7-dimethyl-1-octanol 1105.72
    1-chlorooctane 1475.06
    1-chlorotetradecane 551.31
    n-nonane 896.3
    undecane 503.41
    tert-butylcyclohexane 678.96
    cyclooctane 1210.24
    cyclopentanol 1433.6
    tetrahydropyran 5316.77
    tert-amyl methyl ether 1557.37
    2,5,8-trioxanonane 1019.67
    1-hexene 2716.3
    2-isopropoxyethanol 439.04
    2,2,2-trifluoroethanol 68.45
    methyl butyrate 1513.59

    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