1,4-Cyclohexanedimethanol, 1-ethyl-

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  • Identifiers

    CAS number
    67663-05-2

    Molecular formula
    C10H20O2

    SMILES
    CCC1(CCC(CC1)CO)CO

    Safety labels

  • Odor profile

    Fragrance
    Mint 45.15%
    Oily 43.18%
    Fermented 43.03%
    Floral 41.34%
    Solvent 37.43%
    Alcoholic 37.34%
    Camphoreous 34.44%
    Sweet 32.42%
    Fresh 31.93%
    Fruity 31.57%

     

    Flavor
    Sweet 38.35%
    Fruity 36.45%
    Fruit 33.35%
    Musty 29.1%
    Herbal 28.08%
    Earthy 26.69%
    Minty 24.32%
    Herb 23.83%
    Caramel 22.47%
    Cauliflower 22.41%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.63 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    294°C

    Flash point

    • 147.33 ˚C est.

  • Synonyms

    • 1,4-Cyclohexanedimethanol, 1-ethyl-
    • 67663-05-2
    • EINECS 266-851-7
    • 1-Ethyl-4-(hydroxymethyl)cyclohexylmethanol
    • DTXSID3070545
    • RefChem:416616
    • DTXCID4044957
    • 1-Ethylcyclohexane-1,4-dimethanol
    • SCHEMBL3060885
    • SCHEMBL16875514
    • SCHEMBL16886414
    • JYQMOHNWAKXCDM-UHFFFAOYSA-N
    • 1-ethyl cyclohexane-1,4-dimethanol
    • (1-ethylcyclohexane-1,4-diyl)dimethanol
    • NS00012385
    • 67663-05-2

  • Applications

    1,4-Cyclohexanedimethanol, 1-ethyl- is used primarily as a diol monomer and chain extender in polyurethane systems, contributing to the mechanical properties of coatings, elastomers and adhesives; it is a building block for specialty polyesters and polyether polyols used in high-performance coatings and sealants; it can function as a crosslinking component or reactive diluent in UV-curable resins and coatings to tune Tg and hardness; it serves as an intermediate in the synthesis of specialty plastics and polymer blends; and its applications are evaluated in industrial formulations where rigid diol-derived linkages are required, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1126.19
    methanol 1325.67
    isopropanol 937.29
    water 2.87
    ethyl acetate 838.38
    n-propanol 1051.8
    acetone 795.13
    n-butanol 1007.8
    acetonitrile 546.99
    DMF 652.17
    toluene 116.8
    isobutanol 643.3
    1,4-dioxane 1064.53
    methyl acetate 501.77
    THF 1894.72
    2-butanone 570.87
    n-pentanol 277.53
    sec-butanol 460.91
    n-hexane 17.17
    ethylene glycol 183.3
    NMP 435.29
    cyclohexane 63.15
    DMSO 1404.34
    n-butyl acetate 474.48
    n-octanol 126.52
    chloroform 859.09
    n-propyl acetate 373.64
    acetic acid 737.0
    dichloromethane 780.79
    cyclohexanone 821.3
    propylene glycol 246.39
    isopropyl acetate 435.92
    DMAc 262.39
    2-ethoxyethanol 510.45
    isopentanol 672.7
    n-heptane 24.28
    ethyl formate 597.53
    1,2-dichloroethane 595.82
    n-hexanol 421.67
    2-methoxyethanol 1334.06
    isobutyl acetate 178.49
    tetrachloromethane 219.38
    n-pentyl acetate 202.91
    transcutol 1530.44
    n-heptanol 172.9
    ethylbenzene 51.18
    MIBK 324.28
    2-propoxyethanol 706.61
    tert-butanol 1097.89
    MTBE 498.55
    2-butoxyethanol 355.64
    propionic acid 716.66
    o-xylene 86.0
    formic acid 372.43
    diethyl ether 587.83
    m-xylene 102.22
    p-xylene 66.13
    chlorobenzene 236.77
    dimethyl carbonate 144.0
    n-octane 9.16
    formamide 722.0
    cyclopentanone 1180.36
    2-pentanone 643.07
    anisole 170.83
    cyclopentyl methyl ether 600.83
    gamma-butyrolactone 1443.49
    1-methoxy-2-propanol 881.1
    pyridine 546.3
    3-pentanone 331.99
    furfural 824.54
    n-dodecane 5.35
    diethylene glycol 447.74
    diisopropyl ether 145.87
    tert-amyl alcohol 492.74
    acetylacetone 558.44
    n-hexadecane 6.17
    acetophenone 154.82
    methyl propionate 483.93
    isopentyl acetate 371.07
    trichloroethylene 1015.58
    n-nonanol 105.05
    cyclohexanol 499.44
    benzyl alcohol 160.48
    2-ethylhexanol 185.29
    isooctanol 136.69
    dipropyl ether 248.73
    1,2-dichlorobenzene 227.19
    ethyl lactate 147.57
    propylene carbonate 635.69
    n-methylformamide 935.98
    2-pentanol 479.88
    n-pentane 32.2
    1-propoxy-2-propanol 517.27
    1-methoxy-2-propyl acetate 438.09
    2-(2-methoxypropoxy) propanol 214.81
    mesitylene 81.06
    ε-caprolactone 671.92
    p-cymene 61.77
    epichlorohydrin 1160.26
    1,1,1-trichloroethane 500.48
    2-aminoethanol 510.72
    morpholine-4-carbaldehyde 566.69
    sulfolane 1155.94
    2,2,4-trimethylpentane 19.2
    2-methyltetrahydrofuran 889.23
    n-hexyl acetate 232.15
    isooctane 22.55
    2-(2-butoxyethoxy)ethanol 396.09
    sec-butyl acetate 191.21
    tert-butyl acetate 439.88
    decalin 17.94
    glycerin 345.71
    diglyme 738.4
    acrylic acid 482.96
    isopropyl myristate 72.67
    n-butyric acid 1303.2
    acetyl acetate 314.64
    di(2-ethylhexyl) phthalate 76.63
    ethyl propionate 276.9
    nitromethane 1221.93
    1,2-diethoxyethane 448.0
    benzonitrile 244.19
    trioctyl phosphate 68.75
    1-bromopropane 269.01
    gamma-valerolactone 1208.64
    n-decanol 72.02
    triethyl phosphate 106.1
    4-methyl-2-pentanol 233.47
    propionitrile 566.43
    vinylene carbonate 527.31
    1,1,2-trichlorotrifluoroethane 649.92
    DMS 153.32
    cumene 43.14
    2-octanol 93.57
    2-hexanone 247.39
    octyl acetate 93.65
    limonene 97.56
    1,2-dimethoxyethane 704.85
    ethyl orthosilicate 112.61
    tributyl phosphate 88.79
    diacetone alcohol 510.17
    N,N-dimethylaniline 94.06
    acrylonitrile 591.08
    aniline 333.72
    1,3-propanediol 965.41
    bromobenzene 203.34
    dibromomethane 487.35
    1,1,2,2-tetrachloroethane 728.99
    2-methyl-cyclohexyl acetate 175.45
    tetrabutyl urea 91.1
    diisobutyl methanol 131.96
    2-phenylethanol 205.34
    styrene 66.65
    dioctyl adipate 107.17
    dimethyl sulfate 235.9
    ethyl butyrate 337.75
    methyl lactate 220.35
    butyl lactate 196.0
    diethyl carbonate 182.98
    propanediol butyl ether 269.66
    triethyl orthoformate 205.39
    p-tert-butyltoluene 66.2
    methyl 4-tert-butylbenzoate 187.38
    morpholine 1278.88
    tert-butylamine 613.53
    n-dodecanol 49.65
    dimethoxymethane 629.34
    ethylene carbonate 515.15
    cyrene 183.03
    2-ethoxyethyl acetate 272.17
    2-ethylhexyl acetate 242.87
    1,2,4-trichlorobenzene 256.02
    4-methylpyridine 400.29
    dibutyl ether 146.58
    2,6-dimethyl-4-heptanol 131.96
    DEF 472.58
    dimethyl isosorbide 383.07
    tetrachloroethylene 588.67
    eugenol 161.43
    triacetin 199.88
    span 80 205.86
    1,4-butanediol 170.92
    1,1-dichloroethane 535.01
    2-methyl-1-pentanol 183.85
    methyl formate 568.87
    2-methyl-1-butanol 479.74
    n-decane 11.03
    butyronitrile 660.57
    3,7-dimethyl-1-octanol 131.71
    1-chlorooctane 58.72
    1-chlorotetradecane 17.14
    n-nonane 10.53
    undecane 7.22
    tert-butylcyclohexane 17.62
    cyclooctane 21.06
    cyclopentanol 591.55
    tetrahydropyran 1062.62
    tert-amyl methyl ether 256.88
    2,5,8-trioxanonane 389.93
    1-hexene 64.8
    2-isopropoxyethanol 281.12
    2,2,2-trifluoroethanol 297.42
    methyl butyrate 408.72

    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