4-beta-H,5-beta,10-beta-H-Guaiane-2-beta,8-alpha-diol, 10,11-epoxy-, 8-acetate

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  • Identifiers

    CAS number
    20235-17-0

    Molecular formula
    C17H28O4

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

    Safety labels

  • Odor profile

    Fragrance
    Herbal 56.59%
    Mint 54.92%
    Cooling 44.39%
    Fresh 44.29%
    Woody 42.02%
    Sweet 35.58%
    Camphoreous 35.2%
    Pine 34.61%
    Spicy 32.15%
    Odorless 31.59%

     

    Flavor
    Herbal 52.1%
    Minty 48.19%
    Fruity 41.69%
    Sweet 38.39%
    Bitter 36.25%
    Pine 32.07%
    Fruit 30.76%
    Woody 29.95%
    Mint 29.22%
    Camphor 28.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.2

    pKa est.
    6.31 (neutral)

    Molecular weight
    296.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    348°C

    Flash point

    • 176.29 ˚C est.

  • Synonyms

    • 20235-17-0
    • 4-beta-H,5-beta,10-beta-H-Guaiane-2-beta,8-alpha-diol, 10,11-epoxy-, 8-acetate
    • RefChem:1070372
    • Kessoglycol 8-monoacetate
    • (1r,3r,3as,4s,5s,7r,8ar)-3-hydroxy-1,4,9,9-tetramethyldecahydro-4,7-(epoxymethano)azulen-5-yl acetate
    • BRN 5818042
    • DTXSID00942350
    • 3-Hydroxy-1,4,9,9-tetramethyldecahydro-4,7-(epoxymethano)azulen-5-yl acetate
    • 20235-17-0

  • Applications

    Regarding the compound 4-beta-H,5-beta,10-beta-H-Guaiane-2-beta,8-alpha-diol, 10,11-epoxy-, 8-acetate (CAS 20235-17-0), real-world applications primarily lie in synthesis and fragrance domains: it is commonly viewed as a chiral building block and intermediate in organic synthesis and derivatization of diterpenes; it may be used as a specialty fragrance component or fixative in perfumery and in cosmetic/personal care formulations as a scent-related additive; researchers also evaluate it as a scaffold for diterpene chemistry and related research programs, serving as a foundation for derivative development, while use should comply with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 259.35
    methanol 488.4
    isopropanol 171.83
    water 18.09
    ethyl acetate 253.06
    n-propanol 240.14
    acetone 321.98
    n-butanol 164.35
    acetonitrile 167.53
    DMF 762.43
    toluene 219.04
    isobutanol 157.03
    1,4-dioxane 608.75
    methyl acetate 284.76
    THF 1021.16
    2-butanone 308.58
    n-pentanol 111.8
    sec-butanol 131.97
    n-hexane 5.59
    ethylene glycol 137.72
    NMP 689.15
    cyclohexane 20.76
    DMSO 720.39
    n-butyl acetate 180.35
    n-octanol 62.96
    chloroform 900.76
    n-propyl acetate 164.16
    acetic acid 619.99
    dichloromethane 668.25
    cyclohexanone 483.25
    propylene glycol 115.79
    isopropyl acetate 176.62
    DMAc 625.9
    2-ethoxyethanol 251.82
    isopentanol 120.31
    n-heptane 4.88
    ethyl formate 255.69
    1,2-dichloroethane 334.45
    n-hexanol 137.43
    2-methoxyethanol 453.81
    isobutyl acetate 139.48
    tetrachloromethane 115.72
    n-pentyl acetate 140.89
    transcutol 369.75
    n-heptanol 77.95
    ethylbenzene 75.47
    MIBK 137.79
    2-propoxyethanol 328.49
    tert-butanol 126.82
    MTBE 88.34
    2-butoxyethanol 205.23
    propionic acid 323.23
    o-xylene 102.31
    formic acid 487.82
    diethyl ether 130.41
    m-xylene 125.7
    p-xylene 109.12
    chlorobenzene 251.66
    dimethyl carbonate 205.97
    n-octane 2.8
    formamide 420.61
    cyclopentanone 640.66
    2-pentanone 204.96
    anisole 145.98
    cyclopentyl methyl ether 268.31
    gamma-butyrolactone 871.79
    1-methoxy-2-propanol 280.32
    pyridine 536.15
    3-pentanone 190.99
    furfural 677.74
    n-dodecane 3.44
    diethylene glycol 301.18
    diisopropyl ether 41.34
    tert-amyl alcohol 90.5
    acetylacetone 293.62
    n-hexadecane 4.09
    acetophenone 181.38
    methyl propionate 252.24
    isopentyl acetate 168.16
    trichloroethylene 696.43
    n-nonanol 60.94
    cyclohexanol 181.51
    benzyl alcohol 173.62
    2-ethylhexanol 73.47
    isooctanol 63.28
    dipropyl ether 63.13
    1,2-dichlorobenzene 217.27
    ethyl lactate 125.72
    propylene carbonate 466.74
    n-methylformamide 488.1
    2-pentanol 84.22
    n-pentane 6.44
    1-propoxy-2-propanol 181.3
    1-methoxy-2-propyl acetate 221.99
    2-(2-methoxypropoxy) propanol 141.62
    mesitylene 61.93
    ε-caprolactone 474.84
    p-cymene 50.12
    epichlorohydrin 678.96
    1,1,1-trichloroethane 276.76
    2-aminoethanol 194.2
    morpholine-4-carbaldehyde 680.78
    sulfolane 735.06
    2,2,4-trimethylpentane 5.17
    2-methyltetrahydrofuran 427.89
    n-hexyl acetate 162.32
    isooctane 4.14
    2-(2-butoxyethoxy)ethanol 183.26
    sec-butyl acetate 123.61
    tert-butyl acetate 151.56
    decalin 12.91
    glycerin 222.5
    diglyme 357.63
    acrylic acid 342.41
    isopropyl myristate 61.78
    n-butyric acid 325.08
    acetyl acetate 265.51
    di(2-ethylhexyl) phthalate 85.68
    ethyl propionate 149.61
    nitromethane 726.57
    1,2-diethoxyethane 124.99
    benzonitrile 218.72
    trioctyl phosphate 65.52
    1-bromopropane 153.25
    gamma-valerolactone 855.45
    n-decanol 44.21
    triethyl phosphate 85.12
    4-methyl-2-pentanol 57.56
    propionitrile 173.11
    vinylene carbonate 500.86
    1,1,2-trichlorotrifluoroethane 471.81
    DMS 208.48
    cumene 52.45
    2-octanol 48.38
    2-hexanone 136.6
    octyl acetate 84.43
    limonene 58.83
    1,2-dimethoxyethane 348.93
    ethyl orthosilicate 75.78
    tributyl phosphate 76.0
    diacetone alcohol 157.02
    N,N-dimethylaniline 101.77
    acrylonitrile 253.95
    aniline 215.89
    1,3-propanediol 234.34
    bromobenzene 245.62
    dibromomethane 408.46
    1,1,2,2-tetrachloroethane 508.71
    2-methyl-cyclohexyl acetate 123.15
    tetrabutyl urea 92.03
    diisobutyl methanol 41.32
    2-phenylethanol 170.03
    styrene 88.91
    dioctyl adipate 97.65
    dimethyl sulfate 353.04
    ethyl butyrate 121.25
    methyl lactate 187.04
    butyl lactate 126.15
    diethyl carbonate 102.45
    propanediol butyl ether 155.65
    triethyl orthoformate 102.28
    p-tert-butyltoluene 46.99
    methyl 4-tert-butylbenzoate 147.5
    morpholine 578.14
    tert-butylamine 59.49
    n-dodecanol 33.44
    dimethoxymethane 406.15
    ethylene carbonate 420.39
    cyrene 211.47
    2-ethoxyethyl acetate 215.13
    2-ethylhexyl acetate 139.78
    1,2,4-trichlorobenzene 259.63
    4-methylpyridine 418.91
    dibutyl ether 49.73
    2,6-dimethyl-4-heptanol 41.32
    DEF 245.34
    dimethyl isosorbide 259.95
    tetrachloroethylene 359.42
    eugenol 156.12
    triacetin 181.52
    span 80 124.58
    1,4-butanediol 117.02
    1,1-dichloroethane 300.85
    2-methyl-1-pentanol 99.97
    methyl formate 440.16
    2-methyl-1-butanol 127.2
    n-decane 5.95
    butyronitrile 150.12
    3,7-dimethyl-1-octanol 59.67
    1-chlorooctane 35.02
    1-chlorotetradecane 14.76
    n-nonane 4.45
    undecane 4.33
    tert-butylcyclohexane 9.86
    cyclooctane 6.75
    cyclopentanol 253.06
    tetrahydropyran 449.68
    tert-amyl methyl ether 77.05
    2,5,8-trioxanonane 225.51
    1-hexene 29.42
    2-isopropoxyethanol 170.09
    2,2,2-trifluoroethanol 305.76
    methyl butyrate 190.04

    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