Diethylcyclohexane

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  • Identifiers

    CAS number
    1331-43-7

    Molecular formula
    C10H20

    SMILES
    CCC1CCC(CC1)CC

  • Odor profile

    Fragrance
    Sweet 39.68%
    Gassy 36.99%
    Citrus 33.42%
    Fresh 27.57%
    Woody 25.71%
    Dry 24.12%
    Lemon 20.46%
    Pine 20.02%
    Clean 19.33%
    Amber 18.97%

     

    Flavor
    Alkane 34.81%
    Sweet 23.7%
    Old paper 20.51%
    Terpenic 20.39%
    Beet 19.76%
    Soil 19.75%
    Alkaline 19.73%
    Mentholic 19.63%
    Terpentine 19.47%
    Shrimp 19.37%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    10.11 (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

    • 51.53 ˚C est.

  • Synonyms

    • 1,4-Diethylcyclohexane
    • Cyclohexane, 1,4-diethyl
    • Trans-1,4-diethylcyclohexane
    • 1331-43-7
    • 1679-00-1
    • Cyclohexane, diethyl
    • 1,4-Diethylcyclohexane #
    • cis-1,4-Diethylcyclohexane
    • Cyclohexane, 1,4-diethyl-
    • DTXSID50897346
    • SMAKEJNOUFLEEJ-MGCOHNPYSA-N
    • SMAKEJNOUFLEEJ-UHFFFAOYSA-N
    • DTXSID001025716
    • DTXSID401025718
    • DTXSID701058190
    • Cyclohexane, diethyl (mixed isomers)
    • 13990-92-6
    • 13990-93-7

  • Applications

    Diethylcyclohexane (CAS 1331-43-7) is primarily used as a non-polar industrial solvent and processing aid; in coatings and inks it serves as a diluent for formulations and helps control film formation, while in adhesives it acts as a good solvating component for resin systems. It is also employed as a cleaning and degreasing solvent for metalworking equipment and machinery. In polymer and plastics processing, it can function as a solvent or carrier during formulation and as a processing medium for certain resins. As an intermediate in organic synthesis, it may be used to build more complex cycloalkane derivatives. Additionally, it may serve as a non-polar solvent or carrier for fragrance ingredients in perfumery applications, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 397.18
    methanol 165.21
    isopropanol 457.56
    water 0.02
    ethyl acetate 1964.33
    n-propanol 557.42
    acetone 1108.25
    n-butanol 786.69
    acetonitrile 693.46
    DMF 577.7
    toluene 2031.31
    isobutanol 477.92
    1,4-dioxane 2728.72
    methyl acetate 1055.19
    THF 5222.76
    2-butanone 1469.64
    n-pentanol 451.67
    sec-butanol 602.45
    n-hexane 1720.36
    ethylene glycol 17.24
    NMP 973.11
    cyclohexane 3095.31
    DMSO 602.84
    n-butyl acetate 4986.16
    n-octanol 469.12
    chloroform 4030.33
    n-propyl acetate 1377.5
    acetic acid 245.16
    dichloromethane 3576.54
    cyclohexanone 2784.35
    propylene glycol 50.87
    isopropyl acetate 1524.86
    DMAc 543.8
    2-ethoxyethanol 353.61
    isopentanol 818.11
    n-heptane 2942.79
    ethyl formate 642.95
    1,2-dichloroethane 2675.8
    n-hexanol 1500.94
    2-methoxyethanol 496.46
    isobutyl acetate 960.54
    tetrachloromethane 1339.45
    n-pentyl acetate 1356.43
    transcutol 2084.37
    n-heptanol 534.63
    ethylbenzene 860.87
    MIBK 1183.15
    2-propoxyethanol 1229.7
    tert-butanol 941.94
    MTBE 2495.29
    2-butoxyethanol 616.53
    propionic acid 352.72
    o-xylene 928.27
    formic acid 18.51
    diethyl ether 3220.18
    m-xylene 1039.79
    p-xylene 999.17
    chlorobenzene 1772.32
    dimethyl carbonate 222.49
    n-octane 612.66
    formamide 40.96
    cyclopentanone 2519.68
    2-pentanone 1665.7
    anisole 1014.73
    cyclopentyl methyl ether 2975.33
    gamma-butyrolactone 2027.77
    1-methoxy-2-propanol 529.32
    pyridine 2575.55
    3-pentanone 1435.29
    furfural 1206.99
    n-dodecane 251.21
    diethylene glycol 268.42
    diisopropyl ether 1380.3
    tert-amyl alcohol 893.11
    acetylacetone 1253.43
    n-hexadecane 308.86
    acetophenone 703.63
    methyl propionate 866.17
    isopentyl acetate 3475.13
    trichloroethylene 3331.91
    n-nonanol 478.58
    cyclohexanol 1149.33
    benzyl alcohol 388.78
    2-ethylhexanol 1849.68
    isooctanol 515.12
    dipropyl ether 5921.81
    1,2-dichlorobenzene 1450.75
    ethyl lactate 235.71
    propylene carbonate 1334.06
    n-methylformamide 205.47
    2-pentanol 713.12
    n-pentane 1340.78
    1-propoxy-2-propanol 1602.87
    1-methoxy-2-propyl acetate 1841.66
    2-(2-methoxypropoxy) propanol 542.41
    mesitylene 760.75
    ε-caprolactone 2101.72
    p-cymene 1099.3
    epichlorohydrin 2350.53
    1,1,1-trichloroethane 3460.3
    2-aminoethanol 68.34
    morpholine-4-carbaldehyde 956.2
    sulfolane 1645.65
    2,2,4-trimethylpentane 461.52
    2-methyltetrahydrofuran 4357.29
    n-hexyl acetate 1365.88
    isooctane 442.97
    2-(2-butoxyethoxy)ethanol 784.84
    sec-butyl acetate 1091.08
    tert-butyl acetate 1754.59
    decalin 796.71
    glycerin 60.98
    diglyme 1768.04
    acrylic acid 196.95
    isopropyl myristate 742.42
    n-butyric acid 1035.89
    acetyl acetate 1010.05
    di(2-ethylhexyl) phthalate 350.74
    ethyl propionate 1264.33
    nitromethane 486.31
    1,2-diethoxyethane 3027.95
    benzonitrile 949.96
    trioctyl phosphate 318.68
    1-bromopropane 3369.36
    gamma-valerolactone 2062.85
    n-decanol 367.71
    triethyl phosphate 749.76
    4-methyl-2-pentanol 531.37
    propionitrile 1167.14
    vinylene carbonate 886.87
    1,1,2-trichlorotrifluoroethane 689.79
    DMS 575.22
    cumene 524.61
    2-octanol 411.35
    2-hexanone 1419.85
    octyl acetate 720.16
    limonene 2224.96
    1,2-dimethoxyethane 1704.42
    ethyl orthosilicate 889.26
    tributyl phosphate 487.55
    diacetone alcohol 820.51
    N,N-dimethylaniline 583.15
    acrylonitrile 839.76
    aniline 1028.2
    1,3-propanediol 196.33
    bromobenzene 2316.64
    dibromomethane 3184.85
    1,1,2,2-tetrachloroethane 2876.19
    2-methyl-cyclohexyl acetate 1433.73
    tetrabutyl urea 556.9
    diisobutyl methanol 1240.17
    2-phenylethanol 807.68
    styrene 1094.14
    dioctyl adipate 723.2
    dimethyl sulfate 270.85
    ethyl butyrate 3358.13
    methyl lactate 165.45
    butyl lactate 546.42
    diethyl carbonate 1563.53
    propanediol butyl ether 267.76
    triethyl orthoformate 2161.7
    p-tert-butyltoluene 1086.51
    methyl 4-tert-butylbenzoate 627.59
    morpholine 2518.19
    tert-butylamine 1110.33
    n-dodecanol 311.35
    dimethoxymethane 808.28
    ethylene carbonate 1010.63
    cyrene 333.26
    2-ethoxyethyl acetate 1122.25
    2-ethylhexyl acetate 3210.38
    1,2,4-trichlorobenzene 1405.96
    4-methylpyridine 2368.96
    dibutyl ether 2725.42
    2,6-dimethyl-4-heptanol 1240.17
    DEF 1456.94
    dimethyl isosorbide 1280.38
    tetrachloroethylene 1887.06
    eugenol 427.92
    triacetin 660.4
    span 80 601.19
    1,4-butanediol 54.2
    1,1-dichloroethane 2584.0
    2-methyl-1-pentanol 536.99
    methyl formate 171.84
    2-methyl-1-butanol 683.52
    n-decane 513.36
    butyronitrile 1576.51
    3,7-dimethyl-1-octanol 797.54
    1-chlorooctane 1018.9
    1-chlorotetradecane 407.45
    n-nonane 589.22
    undecane 338.26
    tert-butylcyclohexane 648.29
    cyclooctane 1200.55
    cyclopentanol 897.45
    tetrahydropyran 4952.79
    tert-amyl methyl ether 1658.85
    2,5,8-trioxanonane 1001.79
    1-hexene 2540.61
    2-isopropoxyethanol 363.49
    2,2,2-trifluoroethanol 61.79
    methyl butyrate 1546.84

    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