1,4-Bis(ethoxymethyl)cyclohexane

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  • Identifiers

    CAS number
    54889-63-3

    Molecular formula
    C12H24O2

    SMILES
    CCOCC1CCC(CC1)COCC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 60.64%
    Ethereal 55.68%
    Green 40.14%
    Fermented 39.96%
    Floral 36.69%
    Alcoholic 33.28%
    Fresh 31.29%
    Mint 29.08%
    Solvent 27.37%
    Rose 26.63%

     

    Flavor
    Fruity 41.77%
    Fruit 33.25%
    Sweet 32.94%
    Green 32.21%
    Earthy 30.59%
    Rose 27.48%
    Pineapple 26.91%
    Vegetable 26.02%
    Musty 22.82%
    Herbal 22.48%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.01 (neutral)

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    243°C

    Flash point

    • 97.98 ˚C est.

  • Synonyms

    • 1,4-Bis(ethoxymethyl)cyclohexane
    • Cyclohexane, 1,4-bis(ethoxymethyl)-
    • 54889-63-3
    • EC 700-868-7
    • DTXSID001036315
    • RefChem:416456
    • DTXCID401520518
    • cis-1,4-Bis(ethoxymethyl)cyclohexane
    • trans-1,4-Bis(ethoxymethyl)cyclohexane
    • 1417523-61-5
    • 1417523-62-6
    • SCHEMBL12695097
    • SCHEMBL14486633
    • DTXSID201336018
    • DTXSID501336017
    • 1,4-Bis(ethoxymethyl)cyclohexane #
    • DB-311507
    • NS00003183
    • 54889-63-3

  • Applications

    Chemical name: 1,4-Bis(ethoxymethyl)cyclohexane; CAS number: 54889-63-3. 1,4-Bis(ethoxymethyl)cyclohexane is primarily a protected diol precursor for the production of 1,4-cyclohexanedimethanol (CHDM). Through deprotection (acidic hydrolysis), it yields the diol CHDM, a widely used diol monomer in the manufacture of polyurethanes, polyesters, and PET resins, enabling tuning of properties such as glass transition temperature and flexibility. It is also employed as a precursor for specialty monomers used in coatings and adhesives based on cycloaliphatic diols, supporting resin crosslinking and the development of high-performance polymers. In industrial formulations, it serves as a diol source in CHDM-based polymer synthesis and related cyclohexane diol chemistries for advanced coatings and electronic materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 418.27
    methanol 273.34
    isopropanol 521.53
    water 0.22
    ethyl acetate 915.06
    n-propanol 499.83
    acetone 743.22
    n-butanol 588.51
    acetonitrile 547.8
    DMF 401.87
    toluene 592.11
    isobutanol 439.9
    1,4-dioxane 1379.35
    methyl acetate 653.07
    THF 1843.21
    2-butanone 694.63
    n-pentanol 396.0
    sec-butanol 544.62
    n-hexane 341.09
    ethylene glycol 52.72
    NMP 525.86
    cyclohexane 925.38
    DMSO 605.75
    n-butyl acetate 909.62
    n-octanol 266.74
    chloroform 4511.96
    n-propyl acetate 659.5
    acetic acid 547.54
    dichloromethane 3594.16
    cyclohexanone 1471.19
    propylene glycol 126.22
    isopropyl acetate 658.81
    DMAc 390.41
    2-ethoxyethanol 476.15
    isopentanol 549.55
    n-heptane 360.64
    ethyl formate 523.94
    1,2-dichloroethane 1734.81
    n-hexanol 538.18
    2-methoxyethanol 556.71
    isobutyl acetate 464.41
    tetrachloromethane 1019.9
    n-pentyl acetate 546.6
    transcutol 1351.2
    n-heptanol 265.45
    ethylbenzene 338.99
    MIBK 455.13
    2-propoxyethanol 588.52
    tert-butanol 760.31
    MTBE 787.25
    2-butoxyethanol 412.57
    propionic acid 492.23
    o-xylene 377.23
    formic acid 80.13
    diethyl ether 845.15
    m-xylene 373.32
    p-xylene 441.8
    chlorobenzene 953.75
    dimethyl carbonate 162.08
    n-octane 124.93
    formamide 111.42
    cyclopentanone 1222.71
    2-pentanone 646.48
    anisole 475.81
    cyclopentyl methyl ether 1014.83
    gamma-butyrolactone 1217.67
    1-methoxy-2-propanol 526.57
    pyridine 1147.12
    3-pentanone 516.4
    furfural 1052.33
    n-dodecane 73.07
    diethylene glycol 293.33
    diisopropyl ether 361.69
    tert-amyl alcohol 650.45
    acetylacetone 652.3
    n-hexadecane 85.38
    acetophenone 460.46
    methyl propionate 489.33
    isopentyl acetate 755.68
    trichloroethylene 2887.99
    n-nonanol 251.8
    cyclohexanol 891.89
    benzyl alcohol 384.07
    2-ethylhexanol 456.79
    isooctanol 248.56
    dipropyl ether 803.46
    1,2-dichlorobenzene 899.26
    ethyl lactate 269.72
    propylene carbonate 860.47
    n-methylformamide 222.23
    2-pentanol 491.33
    n-pentane 291.0
    1-propoxy-2-propanol 601.82
    1-methoxy-2-propyl acetate 577.63
    2-(2-methoxypropoxy) propanol 354.11
    mesitylene 278.32
    ε-caprolactone 1233.95
    p-cymene 285.34
    epichlorohydrin 1512.15
    1,1,1-trichloroethane 2299.38
    2-aminoethanol 145.74
    morpholine-4-carbaldehyde 662.91
    sulfolane 1156.73
    2,2,4-trimethylpentane 135.13
    2-methyltetrahydrofuran 1468.06
    n-hexyl acetate 608.68
    isooctane 103.44
    2-(2-butoxyethoxy)ethanol 489.48
    sec-butyl acetate 499.11
    tert-butyl acetate 664.07
    decalin 246.5
    glycerin 151.92
    diglyme 982.95
    acrylic acid 348.3
    isopropyl myristate 294.7
    n-butyric acid 924.35
    acetyl acetate 678.84
    di(2-ethylhexyl) phthalate 209.97
    ethyl propionate 548.16
    nitromethane 676.33
    1,2-diethoxyethane 846.19
    benzonitrile 669.64
    trioctyl phosphate 175.88
    1-bromopropane 1339.81
    gamma-valerolactone 1185.29
    n-decanol 191.05
    triethyl phosphate 325.35
    4-methyl-2-pentanol 300.11
    propionitrile 639.34
    vinylene carbonate 731.15
    1,1,2-trichlorotrifluoroethane 969.7
    DMS 371.99
    cumene 242.81
    2-octanol 217.06
    2-hexanone 552.38
    octyl acetate 318.65
    limonene 474.91
    1,2-dimethoxyethane 991.03
    ethyl orthosilicate 328.87
    tributyl phosphate 236.23
    diacetone alcohol 508.9
    N,N-dimethylaniline 293.53
    acrylonitrile 584.59
    aniline 603.34
    1,3-propanediol 303.4
    bromobenzene 1143.32
    dibromomethane 2631.76
    1,1,2,2-tetrachloroethane 2661.74
    2-methyl-cyclohexyl acetate 504.24
    tetrabutyl urea 250.31
    diisobutyl methanol 323.36
    2-phenylethanol 377.75
    styrene 423.12
    dioctyl adipate 379.3
    dimethyl sulfate 255.04
    ethyl butyrate 751.21
    methyl lactate 231.36
    butyl lactate 367.41
    diethyl carbonate 476.1
    propanediol butyl ether 306.02
    triethyl orthoformate 535.59
    p-tert-butyltoluene 271.29
    methyl 4-tert-butylbenzoate 397.78
    morpholine 1362.67
    tert-butylamine 657.47
    n-dodecanol 157.2
    dimethoxymethane 385.24
    ethylene carbonate 730.12
    cyrene 318.1
    2-ethoxyethyl acetate 535.65
    2-ethylhexyl acetate 624.42
    1,2,4-trichlorobenzene 961.5
    4-methylpyridine 1004.02
    dibutyl ether 658.23
    2,6-dimethyl-4-heptanol 323.36
    DEF 607.76
    dimethyl isosorbide 623.66
    tetrachloroethylene 1782.96
    eugenol 315.75
    triacetin 530.36
    span 80 389.47
    1,4-butanediol 141.81
    1,1-dichloroethane 2040.09
    2-methyl-1-pentanol 363.33
    methyl formate 209.25
    2-methyl-1-butanol 486.46
    n-decane 135.19
    butyronitrile 787.8
    3,7-dimethyl-1-octanol 329.38
    1-chlorooctane 362.93
    1-chlorotetradecane 152.89
    n-nonane 148.76
    undecane 93.27
    tert-butylcyclohexane 197.14
    cyclooctane 290.78
    cyclopentanol 757.37
    tetrahydropyran 1846.04
    tert-amyl methyl ether 575.24
    2,5,8-trioxanonane 592.24
    1-hexene 628.53
    2-isopropoxyethanol 410.04
    2,2,2-trifluoroethanol 206.76
    methyl butyrate 746.71

    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