Kessyl glycol

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  • Identifiers

    CAS number
    6894-57-1

    Molecular formula
    C15H26O3

    SMILES
    C[C@@H]1C[C@H]([C@@H]2[C@@H]1C[C@H]3[C@H](C[C@@]2(OC3(C)C)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Herbal 52.48%
    Mint 51.32%
    Woody 43.56%
    Cooling 41.13%
    Camphoreous 40.57%
    Sweet 37.21%
    Spicy 36.68%
    Earthy 33.92%
    Fresh 33.68%
    Pine 32.94%

     

    Flavor
    Minty 49.4%
    Herbal 44.46%
    Sweet 32.12%
    Earthy 30.61%
    Fruity 29.73%
    Green 29.63%
    Fruit 26.17%
    Fresh 25.59%
    Herb 25.17%
    Pine 24.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    6.76 (neutral)

    Molecular weight
    254.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    421°C

    Flash point

    • 180.72 ˚C est.

  • Synonyms

    • Kessoglycol
    • 6894-57-1
    • RefChem:924129
    • Kessyl glycol
    • (1S,2S,3R,5R,6R,8S,12S)-1,5,9,9-Tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane-3,12-diol
    • 6894-57-1

  • Applications

    Kessyl glycol, CAS 6894-57-1, is used as an intermediate and solvent in a range of industrial processes; in practice, it may serve as a solvent for coatings and inks, as a processing aid in polymer and adhesive formulations, and as a humectant or plasticizer in polymers and personal care products; it may also function as an intermediate in organic synthesis and related manufacturing steps; its use is formulation-dependent and subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 87.42
    methanol 276.99
    isopropanol 52.44
    water 35.25
    ethyl acetate 115.75
    n-propanol 76.64
    acetone 140.72
    n-butanol 51.85
    acetonitrile 102.01
    DMF 359.59
    toluene 70.98
    isobutanol 56.33
    1,4-dioxane 284.91
    methyl acetate 133.78
    THF 517.48
    2-butanone 107.06
    n-pentanol 41.49
    sec-butanol 40.92
    n-hexane 3.32
    ethylene glycol 102.35
    NMP 423.86
    cyclohexane 8.78
    DMSO 307.29
    n-butyl acetate 84.79
    n-octanol 43.48
    chloroform 307.24
    n-propyl acetate 76.55
    acetic acid 267.59
    dichloromethane 266.09
    cyclohexanone 224.61
    propylene glycol 77.82
    isopropyl acetate 77.5
    DMAc 262.02
    2-ethoxyethanol 97.73
    isopentanol 40.91
    n-heptane 5.4
    ethyl formate 118.83
    1,2-dichloroethane 106.2
    n-hexanol 70.14
    2-methoxyethanol 199.39
    isobutyl acetate 68.94
    tetrachloromethane 45.06
    n-pentyl acetate 71.66
    transcutol 189.84
    n-heptanol 47.75
    ethylbenzene 27.82
    MIBK 59.38
    2-propoxyethanol 182.51
    tert-butanol 52.07
    MTBE 34.89
    2-butoxyethanol 99.87
    propionic acid 159.53
    o-xylene 45.17
    formic acid 240.91
    diethyl ether 49.23
    m-xylene 58.02
    p-xylene 43.31
    chlorobenzene 92.34
    dimethyl carbonate 108.23
    n-octane 2.76
    formamide 211.81
    cyclopentanone 322.21
    2-pentanone 77.22
    anisole 64.61
    cyclopentyl methyl ether 135.75
    gamma-butyrolactone 481.67
    1-methoxy-2-propanol 140.14
    pyridine 202.23
    3-pentanone 74.67
    furfural 368.49
    n-dodecane 3.17
    diethylene glycol 208.08
    diisopropyl ether 19.15
    tert-amyl alcohol 37.74
    acetylacetone 149.35
    n-hexadecane 3.65
    acetophenone 88.88
    methyl propionate 123.18
    isopentyl acetate 82.05
    trichloroethylene 236.65
    n-nonanol 41.37
    cyclohexanol 72.94
    benzyl alcohol 79.9
    2-ethylhexanol 43.64
    isooctanol 39.39
    dipropyl ether 42.88
    1,2-dichlorobenzene 90.34
    ethyl lactate 76.08
    propylene carbonate 248.45
    n-methylformamide 249.93
    2-pentanol 28.83
    n-pentane 3.99
    1-propoxy-2-propanol 105.96
    1-methoxy-2-propyl acetate 127.86
    2-(2-methoxypropoxy) propanol 97.0
    mesitylene 34.38
    ε-caprolactone 227.77
    p-cymene 32.11
    epichlorohydrin 310.32
    1,1,1-trichloroethane 94.56
    2-aminoethanol 115.17
    morpholine-4-carbaldehyde 372.75
    sulfolane 416.44
    2,2,4-trimethylpentane 3.41
    2-methyltetrahydrofuran 183.95
    n-hexyl acetate 89.84
    isooctane 3.12
    2-(2-butoxyethoxy)ethanol 112.58
    sec-butyl acetate 56.89
    tert-butyl acetate 74.58
    decalin 6.83
    glycerin 155.87
    diglyme 193.16
    acrylic acid 193.3
    isopropyl myristate 40.03
    n-butyric acid 139.82
    acetyl acetate 122.38
    di(2-ethylhexyl) phthalate 59.61
    ethyl propionate 73.92
    nitromethane 398.17
    1,2-diethoxyethane 65.24
    benzonitrile 108.09
    trioctyl phosphate 46.97
    1-bromopropane 44.19
    gamma-valerolactone 454.84
    n-decanol 32.17
    triethyl phosphate 53.2
    4-methyl-2-pentanol 25.53
    propionitrile 72.31
    vinylene carbonate 277.24
    1,1,2-trichlorotrifluoroethane 224.81
    DMS 116.98
    cumene 25.55
    2-octanol 30.31
    2-hexanone 57.85
    octyl acetate 52.59
    limonene 37.96
    1,2-dimethoxyethane 153.55
    ethyl orthosilicate 46.93
    tributyl phosphate 49.21
    diacetone alcohol 90.75
    N,N-dimethylaniline 51.63
    acrylonitrile 124.19
    aniline 83.72
    1,3-propanediol 104.29
    bromobenzene 88.08
    dibromomethane 136.04
    1,1,2,2-tetrachloroethane 168.39
    2-methyl-cyclohexyl acetate 74.37
    tetrabutyl urea 60.54
    diisobutyl methanol 28.29
    2-phenylethanol 95.5
    styrene 31.66
    dioctyl adipate 64.11
    dimethyl sulfate 185.25
    ethyl butyrate 70.75
    methyl lactate 112.6
    butyl lactate 77.11
    diethyl carbonate 59.49
    propanediol butyl ether 92.21
    triethyl orthoformate 61.67
    p-tert-butyltoluene 30.69
    methyl 4-tert-butylbenzoate 101.02
    morpholine 241.25
    tert-butylamine 28.08
    n-dodecanol 24.32
    dimethoxymethane 210.02
    ethylene carbonate 212.92
    cyrene 142.79
    2-ethoxyethyl acetate 108.32
    2-ethylhexyl acetate 68.36
    1,2,4-trichlorobenzene 116.14
    4-methylpyridine 154.47
    dibutyl ether 29.45
    2,6-dimethyl-4-heptanol 28.29
    DEF 114.6
    dimethyl isosorbide 178.32
    tetrachloroethylene 123.28
    eugenol 101.35
    triacetin 120.04
    span 80 97.25
    1,4-butanediol 57.03
    1,1-dichloroethane 90.49
    2-methyl-1-pentanol 37.4
    methyl formate 259.37
    2-methyl-1-butanol 42.34
    n-decane 5.21
    butyronitrile 59.61
    3,7-dimethyl-1-octanol 39.86
    1-chlorooctane 23.6
    1-chlorotetradecane 10.28
    n-nonane 4.29
    undecane 3.92
    tert-butylcyclohexane 5.7
    cyclooctane 4.3
    cyclopentanol 111.56
    tetrahydropyran 158.87
    tert-amyl methyl ether 33.19
    2,5,8-trioxanonane 150.6
    1-hexene 11.82
    2-isopropoxyethanol 72.42
    2,2,2-trifluoroethanol 156.66
    methyl butyrate 87.56

    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