Cynaratriol

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  • Identifiers

    CAS number
    70894-20-1

    Molecular formula
    C15H22O5

    SMILES
    CC1C(CC2C1C3C(CCC2=C)C(C(=O)O3)(CO)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 57.66%
    Spicy 32.17%
    Woody 30.04%
    Sweet 29.89%
    Cooling 22.52%
    Mint 21.9%
    Caramellic 20.24%
    Burnt 18.76%
    Bitter 18.05%
    Phenolic 17.64%

     

    Flavor
    Bitter 82.0%
    Sweet-like 24.36%
    Odorless 23.51%
    Fatty 22.07%
    Cedarleaf 21.72%
    Alkaline 20.62%
    Fenugreek 20.35%
    Cauliflower 19.98%
    Leaves 19.95%
    Naphthalic 19.93%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.06 (neutral)

    Molecular weight
    282.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    804°C

    Melting point expt.

    • 178 - 179 °C

    Flash point

    • 197.34 ˚C est.

  • Synonyms

    • Cynaratriol
    • 3,11,13-Trihydroxy-10(14)-guaien-12,6-olide
    • 3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-6-methylidene-dodecahydroazuleno[4,5-b]furan-2-one
    • 3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-6-methylidene-4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno(4,5-b)furan-2-one
    • 3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-6-methylidene-4,5,6a,7,8,9,9a,9b-octahydro-3aH-azuleno[4,5-b]furan-2-one
    • 3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-6-methylidene-dodecahydroazuleno(4,5-b)furan-2-one
    • RefChem:130123
    • 3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-\ 6-methylenedecahydroazuleno(4,5-b)furan-2(3H)-one
    • 3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-\ 6-methylenedecahydroazuleno[4,5-b]furan-2(3H)-one
    • 70894-20-1
    • SCHEMBL12459505
    • 70894-20-1

  • Applications

    Cynaratriol (CAS 70894-20-1) is a triol used as a versatile polyol building block in industrial formulations. In polymer and resin manufacturing, it serves as a polyol component for polyurethane and polyester systems, acting as a crosslinking agent or chain extender to tailor mechanical properties. In coatings and inks, it can function as a reactive diluent or crosslinking facilitator to adjust viscosity and cure behavior. In cosmetics and personal care, its multiple hydroxyl groups contribute to humectant and emollient properties, supporting moisture retention and skin feel. It is also evaluated as an intermediate in fragrance chemistry, providing a flexible scaffold for aroma compound synthesis. Subject to local regulations and formulation limits, Cynaratriol may be used as a specialty polyol component in various polymer, coating, or fragrance-related formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 176.15
    methanol 787.57
    isopropanol 182.03
    water 11.95
    ethyl acetate 80.63
    n-propanol 129.15
    acetone 208.71
    n-butanol 136.69
    acetonitrile 43.13
    DMF 400.59
    toluene 25.72
    isobutanol 80.73
    1,4-dioxane 239.4
    methyl acetate 66.5
    THF 555.61
    2-butanone 99.49
    n-pentanol 49.35
    sec-butanol 65.81
    n-hexane 0.42
    ethylene glycol 171.08
    NMP 193.71
    cyclohexane 2.28
    DMSO 769.09
    n-butyl acetate 47.68
    n-octanol 23.57
    chloroform 94.21
    n-propyl acetate 44.21
    acetic acid 272.28
    dichloromethane 90.97
    cyclohexanone 168.56
    propylene glycol 114.76
    isopropyl acetate 75.9
    DMAc 224.43
    2-ethoxyethanol 222.57
    isopentanol 122.97
    n-heptane 0.79
    ethyl formate 95.6
    1,2-dichloroethane 67.7
    n-hexanol 50.21
    2-methoxyethanol 567.37
    isobutyl acetate 30.15
    tetrachloromethane 15.73
    n-pentyl acetate 42.89
    transcutol 324.67
    n-heptanol 35.26
    ethylbenzene 11.89
    MIBK 83.51
    2-propoxyethanol 194.33
    tert-butanol 168.68
    MTBE 34.43
    2-butoxyethanol 115.17
    propionic acid 93.79
    o-xylene 19.25
    formic acid 432.51
    diethyl ether 32.8
    m-xylene 23.26
    p-xylene 15.59
    chlorobenzene 30.68
    dimethyl carbonate 88.89
    n-octane 0.74
    formamide 487.21
    cyclopentanone 291.4
    2-pentanone 106.64
    anisole 43.06
    cyclopentyl methyl ether 76.01
    gamma-butyrolactone 279.7
    1-methoxy-2-propanol 375.39
    pyridine 110.97
    3-pentanone 46.85
    furfural 252.87
    n-dodecane 0.73
    diethylene glycol 312.3
    diisopropyl ether 11.22
    tert-amyl alcohol 71.86
    acetylacetone 189.09
    n-hexadecane 0.87
    acetophenone 63.49
    methyl propionate 70.57
    isopentyl acetate 52.05
    trichloroethylene 145.41
    n-nonanol 23.48
    cyclohexanol 81.85
    benzyl alcohol 81.05
    2-ethylhexanol 22.07
    isooctanol 30.48
    dipropyl ether 13.87
    1,2-dichlorobenzene 33.61
    ethyl lactate 61.72
    propylene carbonate 132.67
    n-methylformamide 266.91
    2-pentanol 59.68
    n-pentane 0.8
    1-propoxy-2-propanol 102.0
    1-methoxy-2-propyl acetate 97.21
    2-(2-methoxypropoxy) propanol 84.86
    mesitylene 15.3
    ε-caprolactone 135.76
    p-cymene 11.57
    epichlorohydrin 276.37
    1,1,1-trichloroethane 38.64
    2-aminoethanol 199.72
    morpholine-4-carbaldehyde 275.44
    sulfolane 375.17
    2,2,4-trimethylpentane 0.86
    2-methyltetrahydrofuran 110.51
    n-hexyl acetate 43.42
    isooctane 1.08
    2-(2-butoxyethoxy)ethanol 129.9
    sec-butyl acetate 32.23
    tert-butyl acetate 81.03
    decalin 1.54
    glycerin 290.81
    diglyme 233.83
    acrylic acid 115.42
    isopropyl myristate 18.04
    n-butyric acid 168.03
    acetyl acetate 77.59
    di(2-ethylhexyl) phthalate 32.87
    ethyl propionate 38.22
    nitromethane 317.18
    1,2-diethoxyethane 52.32
    benzonitrile 61.12
    trioctyl phosphate 25.72
    1-bromopropane 16.71
    gamma-valerolactone 380.51
    n-decanol 16.07
    triethyl phosphate 25.74
    4-methyl-2-pentanol 45.72
    propionitrile 39.06
    vinylene carbonate 130.39
    1,1,2-trichlorotrifluoroethane 251.58
    DMS 54.16
    cumene 9.46
    2-octanol 20.23
    2-hexanone 41.79
    octyl acetate 24.27
    limonene 13.19
    1,2-dimethoxyethane 232.44
    ethyl orthosilicate 22.83
    tributyl phosphate 24.61
    diacetone alcohol 160.71
    N,N-dimethylaniline 29.92
    acrylonitrile 73.66
    aniline 61.11
    1,3-propanediol 362.72
    bromobenzene 24.31
    dibromomethane 42.07
    1,1,2,2-tetrachloroethane 100.63
    2-methyl-cyclohexyl acetate 36.83
    tetrabutyl urea 35.38
    diisobutyl methanol 18.91
    2-phenylethanol 71.25
    styrene 13.13
    dioctyl adipate 33.21
    dimethyl sulfate 154.6
    ethyl butyrate 33.3
    methyl lactate 123.06
    butyl lactate 57.63
    diethyl carbonate 28.15
    propanediol butyl ether 106.5
    triethyl orthoformate 28.97
    p-tert-butyltoluene 11.54
    methyl 4-tert-butylbenzoate 69.75
    morpholine 238.92
    tert-butylamine 38.44
    n-dodecanol 11.07
    dimethoxymethane 291.27
    ethylene carbonate 112.1
    cyrene 120.66
    2-ethoxyethyl acetate 74.09
    2-ethylhexyl acetate 32.77
    1,2,4-trichlorobenzene 44.25
    4-methylpyridine 85.76
    dibutyl ether 12.36
    2,6-dimethyl-4-heptanol 18.91
    DEF 90.55
    dimethyl isosorbide 139.31
    tetrachloroethylene 78.98
    eugenol 81.8
    triacetin 62.13
    span 80 71.35
    1,4-butanediol 112.5
    1,1-dichloroethane 43.79
    2-methyl-1-pentanol 44.05
    methyl formate 252.39
    2-methyl-1-butanol 71.64
    n-decane 1.22
    butyronitrile 51.14
    3,7-dimethyl-1-octanol 24.71
    1-chlorooctane 6.59
    1-chlorotetradecane 2.81
    n-nonane 0.95
    undecane 0.92
    tert-butylcyclohexane 1.13
    cyclooctane 1.08
    cyclopentanol 112.61
    tetrahydropyran 104.09
    tert-amyl methyl ether 23.36
    2,5,8-trioxanonane 155.86
    1-hexene 2.59
    2-isopropoxyethanol 119.64
    2,2,2-trifluoroethanol 146.22
    methyl butyrate 56.38

    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