18-Crown-6

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  • Identifiers

    CAS number
    17455-13-9

    Molecular formula
    C12H24O6

    SMILES
    C1COCCOCCOCCOCCOCCO1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 82.25%
    Ethereal 65.51%
    Solvent 50.25%
    Alcoholic 30.73%
    Musty 30.15%
    Pungent 28.76%
    Oily 27.94%
    Fermented 27.3%
    Caramellic 24.87%
    Rummy 23.79%

     

    Flavor
    Vegetable 28.36%
    Caramel 24.0%
    Cauliflower 22.55%
    Roasted 21.88%
    Shrimp 20.93%
    Alkaline 20.78%
    Oily 20.04%
    Fishy 19.68%
    Clam 19.16%
    Solvent 19.1%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.7

    pKa est.
    8.14 (weak base)

    Molecular weight
    264.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    351°C

    Flash point

    • 156.1 ˚C est.

  • Synonyms

    • 18-Crown-6
    • 17455-13-9
    • 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE
    • Ethylene oxide cyclic hexamer
    • CHEBI:32397
    • 63J177NC5B
    • NSC-159836
    • DTXSID7058626
    • RefChem:79335
    • DTXCID5032313
    • 241-473-5
    • 18-crown-6-ether
    • 18-Crown-6 ether
    • 18-Crown 6-Ether
    • MFCD00005113
    • Hexaoxacyclooctadecane
    • 18-crown6
    • 1,4,7,10,13,16-Hexaoxacyclooctadecane (18-Crown-6)
    • CHEMBL155204
    • CCRIS 3587
    • EINECS 241-473-5
    • NSC 159836
    • BRN 1619616
    • UNII-63J177NC5B
    • 1,4,7,10,13,16-Hexanoxacyclooctadecane
    • 18-Crown-6 ether; Ethylene Oxide Cyclic Hexamer; 1,4,7,10,13,16-Hexaoxacyclooctadecane; NSC 159836;
    • 18-crown-6ether
    • O4B
    • 18-Crownether-6
    • 18crown-6
    • 18-crown 6
    • 18--Crown-6 ether
    • [18]crown-6
    • 18 -crown-6
    • 18-crown -6
    • Crown ether 18-crown-6
    • SCHEMBL1119
    • 18-CROWN ETHER-6
    • 5-19-12-00601 (Beilstein Handbook Reference)
    • 18-Crown-6, 99%
    • orb2942416
    • SCHEMBL8319217
    • 18-Crown-6, pkg of 25 g
    • CS-D1202
    • HY-D0180
    • 18-Crown-6 Ether, 97+ Percent
    • BDBM50530238
    • NSC159836
    • SBB040885
    • STL185678
    • 18-Crown-6, >=99.0%
    • AKOS000268988
    • FC20589
    • 1,7,10,13,16-Hexaoxacyclooctadecane
    • 1,7,10,13,16-Hexanoxacyclooctadecane
    • WLN: T-18-O DO GO JO MO POTJ
    • 1,4,7,10,13,16-hexaoxacyclooctadecan
    • 3,6,9,12,15,18-hexaoxacyclooctadecan
    • AC-29207
    • BP-10155
    • ST023795
    • SY002250
    • 1,4,7,10,13,16-Hexoxacyclooctadecane
    • 1,4,7,10,13,16Hexaoxa-Cyclooctadecane
    • 1,4,7, 10,13,16-hexaoxacyclooctadecane
    • 1,4,7,10,13,16-hexaoxacyclo-octadecane
    • 1,4,7,10,13,16-hexaoxacycloocta-decane
    • 18-Crown-6, purum, >=99.0% (GC)
    • NS00019952
    • EN300-17608
    • 18-C-6
    • 455C139
    • F043407
    • doi:10.14272/XEZNGIUYQVAUSS-UHFFFAOYSA-N.1
    • Q3238432
    • 18-Crown-6, for ion chromatography, >=99.0% (GC)
    • F0001-0636
    • 17455-13-9

  • Applications

    18-Crown-6 (CAS 17455-13-9) is mainly used as a chelating/complexing agent for alkali metal cations in organic media, sequestering the ion and enhancing the reactivity of certain organometallic transformations (e.g., Grignard-type processes). It is employed as an additive in phase-transfer catalysis in select systems, improving ion transfer between phases. In analytical chemistry and spectroscopy, it serves as a host to study cation binding and to stabilize ion-pairing environments. It is also used in sensor technology and electrochemical applications as a component of ion-selective membranes or detectors for potassium and related cations. In materials science and polymer chemistry, 18-Crown-6 functions as a supramolecular host to template ion transport and influence the properties of ion-containing polymers or composites. Overall, uses are primarily at the laboratory and process-development scale, subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.92
    methanol 33.45
    isopropanol 10.04
    water 4.63
    ethyl acetate 41.65
    n-propanol 15.04
    acetone 35.92
    n-butanol 10.44
    acetonitrile 43.54
    DMF 129.1
    toluene 18.99
    isobutanol 10.32
    1,4-dioxane 73.1
    methyl acetate 47.89
    THF 108.28
    2-butanone 32.18
    n-pentanol 9.44
    sec-butanol 11.07
    n-hexane 4.77
    ethylene glycol 16.44
    NMP 256.67
    cyclohexane 21.23
    DMSO 273.65
    n-butyl acetate 28.21
    n-octanol 8.28
    chloroform 230.46
    n-propyl acetate 29.28
    acetic acid 130.42
    dichloromethane 263.54
    cyclohexanone 75.12
    propylene glycol 11.75
    isopropyl acetate 20.74
    DMAc 163.93
    2-ethoxyethanol 41.95
    isopentanol 8.61
    n-heptane 8.44
    ethyl formate 42.64
    1,2-dichloroethane 127.27
    n-hexanol 9.73
    2-methoxyethanol 56.21
    isobutyl acetate 14.85
    tetrachloromethane 47.2
    n-pentyl acetate 18.4
    transcutol 100.05
    n-heptanol 6.82
    ethylbenzene 11.73
    MIBK 10.99
    2-propoxyethanol 34.87
    tert-butanol 12.86
    MTBE 12.88
    2-butoxyethanol 21.31
    propionic acid 60.15
    o-xylene 20.37
    formic acid 99.85
    diethyl ether 22.51
    m-xylene 11.39
    p-xylene 16.46
    chlorobenzene 44.51
    dimethyl carbonate 27.65
    n-octane 3.24
    formamide 143.33
    cyclopentanone 104.45
    2-pentanone 21.24
    anisole 26.24
    cyclopentyl methyl ether 44.6
    gamma-butyrolactone 181.69
    1-methoxy-2-propanol 32.65
    pyridine 101.96
    3-pentanone 29.45
    furfural 198.12
    n-dodecane 2.16
    diethylene glycol 35.43
    diisopropyl ether 6.44
    tert-amyl alcohol 13.57
    acetylacetone 39.63
    n-hexadecane 2.45
    acetophenone 40.92
    methyl propionate 41.68
    isopentyl acetate 20.38
    trichloroethylene 247.27
    n-nonanol 8.86
    cyclohexanol 23.95
    benzyl alcohol 26.03
    2-ethylhexanol 10.61
    isooctanol 6.54
    dipropyl ether 25.35
    1,2-dichlorobenzene 57.59
    ethyl lactate 27.12
    propylene carbonate 82.22
    n-methylformamide 80.59
    2-pentanol 7.35
    n-pentane 4.71
    1-propoxy-2-propanol 28.55
    1-methoxy-2-propyl acetate 32.99
    2-(2-methoxypropoxy) propanol 35.18
    mesitylene 8.88
    ε-caprolactone 82.86
    p-cymene 13.0
    epichlorohydrin 134.42
    1,1,1-trichloroethane 83.37
    2-aminoethanol 22.83
    morpholine-4-carbaldehyde 145.46
    sulfolane 294.63
    2,2,4-trimethylpentane 3.04
    2-methyltetrahydrofuran 62.52
    n-hexyl acetate 21.74
    isooctane 1.24
    2-(2-butoxyethoxy)ethanol 34.41
    sec-butyl acetate 18.43
    tert-butyl acetate 18.78
    decalin 7.35
    glycerin 31.78
    diglyme 87.0
    acrylic acid 86.76
    isopropyl myristate 11.42
    n-butyric acid 47.86
    acetyl acetate 47.54
    di(2-ethylhexyl) phthalate 16.15
    ethyl propionate 32.88
    nitromethane 197.82
    1,2-diethoxyethane 35.73
    benzonitrile 39.24
    trioctyl phosphate 10.37
    1-bromopropane 44.37
    gamma-valerolactone 130.21
    n-decanol 6.74
    triethyl phosphate 36.01
    4-methyl-2-pentanol 4.71
    propionitrile 28.2
    vinylene carbonate 95.27
    1,1,2-trichlorotrifluoroethane 184.66
    DMS 36.14
    cumene 9.67
    2-octanol 5.05
    2-hexanone 18.57
    octyl acetate 14.36
    limonene 19.31
    1,2-dimethoxyethane 67.76
    ethyl orthosilicate 30.52
    tributyl phosphate 16.29
    diacetone alcohol 22.35
    N,N-dimethylaniline 25.68
    acrylonitrile 49.8
    aniline 36.09
    1,3-propanediol 21.29
    bromobenzene 46.28
    dibromomethane 149.82
    1,1,2,2-tetrachloroethane 202.03
    2-methyl-cyclohexyl acetate 30.51
    tetrabutyl urea 23.19
    diisobutyl methanol 8.03
    2-phenylethanol 19.58
    styrene 16.35
    dioctyl adipate 26.6
    dimethyl sulfate 80.39
    ethyl butyrate 36.22
    methyl lactate 34.81
    butyl lactate 20.22
    diethyl carbonate 33.26
    propanediol butyl ether 17.34
    triethyl orthoformate 35.43
    p-tert-butyltoluene 11.63
    methyl 4-tert-butylbenzoate 37.36
    morpholine 87.15
    tert-butylamine 9.58
    n-dodecanol 5.58
    dimethoxymethane 46.86
    ethylene carbonate 68.53
    cyrene 54.8
    2-ethoxyethyl acetate 30.0
    2-ethylhexyl acetate 20.33
    1,2,4-trichlorobenzene 79.35
    4-methylpyridine 57.4
    dibutyl ether 16.4
    2,6-dimethyl-4-heptanol 8.03
    DEF 56.58
    dimethyl isosorbide 79.25
    tetrachloroethylene 160.74
    eugenol 31.0
    triacetin 49.98
    span 80 28.35
    1,4-butanediol 10.59
    1,1-dichloroethane 67.46
    2-methyl-1-pentanol 8.61
    methyl formate 66.63
    2-methyl-1-butanol 10.01
    n-decane 3.84
    butyronitrile 21.24
    3,7-dimethyl-1-octanol 8.88
    1-chlorooctane 11.0
    1-chlorotetradecane 5.31
    n-nonane 3.74
    undecane 2.73
    tert-butylcyclohexane 4.3
    cyclooctane 7.18
    cyclopentanol 32.66
    tetrahydropyran 56.18
    tert-amyl methyl ether 16.1
    2,5,8-trioxanonane 69.92
    1-hexene 9.26
    2-isopropoxyethanol 23.83
    2,2,2-trifluoroethanol 91.88
    methyl butyrate 39.03

    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