6,7-Dehydroferruginol

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  • Identifiers

    CAS number
    34539-84-9

    Molecular formula
    C20H28O

    SMILES
    CC(C)C1=C(C=C2C(=C1)C=C[C@@H]3[C@@]2(CCCC3(C)C)C)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 55.39%
    Spicy 49.63%
    Musk 45.37%
    Amber 40.21%
    Phenolic 39.99%
    Dry 39.06%
    Sweet 35.21%
    Leathery 33.92%
    Animal 31.73%
    Powdery 27.0%

     

    Flavor
    Woody 58.2%
    Camphor 38.0%
    Bitter 33.32%
    Wood 31.45%
    Spice 29.93%
    Herbal 24.51%
    Pine 23.91%
    Medicinal 22.93%
    Spicy 22.46%
    Thymol 21.66%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    8.58 (weak base)

    Molecular weight
    284.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    435°C

    Flash point

    • 198.62 ˚C est.

  • Synonyms

    • 6,7-Dehydroferruginol
    • 34539-84-9
    • (4bS,8aS)-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthren-3-ol
    • RefChem:103801
    • 6 pound not7-Dehydroferruginol
    • orb1991726
    • CHEMBL3093126
    • DTXSID301314663
    • AKOS040735034
    • Abieta-6,8,11,13-tetraen-12-ol
    • FS-7610
    • 34539-84-9

  • Applications

    6,7-Dehydroferruginol (CAS 34539-84-9) is an abietane-type diterpenoid; practical applications are primarily as an intermediate in the synthesis of ferruginol and related derivatives. In the fragrance and cosmetics sectors, it may be used as a fragrance ingredient or a fixative in experimental formulations. In natural products and medicinal chemistry research, it is often used as a scaffold for diterpenoid libraries and for guiding synthetic transformations. In academic and process development contexts, it is used as a model compound to explore reaction sequences and the physicochemical properties of abietane-type structures.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 198.02
    methanol 88.95
    isopropanol 184.98
    water 0.04
    ethyl acetate 466.94
    n-propanol 285.4
    acetone 365.73
    n-butanol 323.42
    acetonitrile 106.76
    DMF 833.64
    toluene 791.0
    isobutanol 233.44
    1,4-dioxane 831.02
    methyl acetate 305.48
    THF 1615.24
    2-butanone 521.24
    n-pentanol 147.08
    sec-butanol 195.61
    n-hexane 100.83
    ethylene glycol 9.28
    NMP 580.34
    cyclohexane 160.5
    DMSO 151.98
    n-butyl acetate 405.84
    n-octanol 90.06
    chloroform 666.17
    n-propyl acetate 208.08
    acetic acid 58.2
    dichloromethane 576.48
    cyclohexanone 782.96
    propylene glycol 23.77
    isopropyl acetate 385.67
    DMAc 603.74
    2-ethoxyethanol 171.45
    isopentanol 303.01
    n-heptane 50.4
    ethyl formate 113.59
    1,2-dichloroethane 584.5
    n-hexanol 327.84
    2-methoxyethanol 340.25
    isobutyl acetate 196.17
    tetrachloromethane 104.72
    n-pentyl acetate 260.64
    transcutol 841.54
    n-heptanol 133.94
    ethylbenzene 210.86
    MIBK 414.27
    2-propoxyethanol 532.03
    tert-butanol 236.54
    MTBE 754.22
    2-butoxyethanol 247.87
    propionic acid 91.76
    o-xylene 286.19
    formic acid 12.25
    diethyl ether 985.98
    m-xylene 457.76
    p-xylene 231.22
    chlorobenzene 399.03
    dimethyl carbonate 198.15
    n-octane 18.33
    formamide 31.33
    cyclopentanone 847.24
    2-pentanone 605.24
    anisole 317.67
    cyclopentyl methyl ether 1014.03
    gamma-butyrolactone 529.7
    1-methoxy-2-propanol 363.87
    pyridine 707.7
    3-pentanone 506.21
    furfural 318.71
    n-dodecane 8.89
    diethylene glycol 156.98
    diisopropyl ether 313.52
    tert-amyl alcohol 212.38
    acetylacetone 382.67
    n-hexadecane 11.16
    acetophenone 208.89
    methyl propionate 474.13
    isopentyl acetate 426.64
    trichloroethylene 831.22
    n-nonanol 92.74
    cyclohexanol 313.43
    benzyl alcohol 150.44
    2-ethylhexanol 198.31
    isooctanol 116.59
    dipropyl ether 375.08
    1,2-dichlorobenzene 285.47
    ethyl lactate 76.0
    propylene carbonate 240.25
    n-methylformamide 177.34
    2-pentanol 234.61
    n-pentane 122.36
    1-propoxy-2-propanol 363.28
    1-methoxy-2-propyl acetate 514.87
    2-(2-methoxypropoxy) propanol 188.44
    mesitylene 242.03
    ε-caprolactone 523.99
    p-cymene 118.37
    epichlorohydrin 819.47
    1,1,1-trichloroethane 444.34
    2-aminoethanol 43.86
    morpholine-4-carbaldehyde 615.26
    sulfolane 416.9
    2,2,4-trimethylpentane 46.13
    2-methyltetrahydrofuran 979.06
    n-hexyl acetate 307.4
    isooctane 46.44
    2-(2-butoxyethoxy)ethanol 285.31
    sec-butyl acetate 210.33
    tert-butyl acetate 433.27
    decalin 57.85
    glycerin 37.02
    diglyme 570.65
    acrylic acid 58.77
    isopropyl myristate 111.19
    n-butyric acid 219.96
    acetyl acetate 178.71
    di(2-ethylhexyl) phthalate 92.92
    ethyl propionate 243.72
    nitromethane 136.64
    1,2-diethoxyethane 520.13
    benzonitrile 201.75
    trioctyl phosphate 72.77
    1-bromopropane 564.08
    gamma-valerolactone 900.38
    n-decanol 65.62
    triethyl phosphate 106.56
    4-methyl-2-pentanol 180.74
    propionitrile 235.23
    vinylene carbonate 218.3
    1,1,2-trichlorotrifluoroethane 257.69
    DMS 268.37
    cumene 123.45
    2-octanol 85.96
    2-hexanone 242.51
    octyl acetate 132.74
    limonene 176.82
    1,2-dimethoxyethane 439.94
    ethyl orthosilicate 123.2
    tributyl phosphate 83.93
    diacetone alcohol 314.44
    N,N-dimethylaniline 227.36
    acrylonitrile 208.03
    aniline 407.33
    1,3-propanediol 113.12
    bromobenzene 471.86
    dibromomethane 461.59
    1,1,2,2-tetrachloroethane 649.07
    2-methyl-cyclohexyl acetate 196.04
    tetrabutyl urea 114.68
    diisobutyl methanol 112.07
    2-phenylethanol 241.71
    styrene 241.29
    dioctyl adipate 130.47
    dimethyl sulfate 217.26
    ethyl butyrate 230.34
    methyl lactate 113.23
    butyl lactate 158.9
    diethyl carbonate 130.02
    propanediol butyl ether 137.06
    triethyl orthoformate 198.46
    p-tert-butyltoluene 134.91
    methyl 4-tert-butylbenzoate 203.92
    morpholine 1093.15
    tert-butylamine 220.08
    n-dodecanol 46.83
    dimethoxymethane 932.47
    ethylene carbonate 205.27
    cyrene 158.5
    2-ethoxyethyl acetate 372.56
    2-ethylhexyl acetate 367.17
    1,2,4-trichlorobenzene 327.08
    4-methylpyridine 837.49
    dibutyl ether 208.34
    2,6-dimethyl-4-heptanol 112.07
    DEF 652.72
    dimethyl isosorbide 372.79
    tetrachloroethylene 372.08
    eugenol 183.09
    triacetin 198.36
    span 80 157.53
    1,4-butanediol 29.84
    1,1-dichloroethane 501.56
    2-methyl-1-pentanol 169.3
    methyl formate 105.68
    2-methyl-1-butanol 289.86
    n-decane 19.05
    butyronitrile 281.37
    3,7-dimethyl-1-octanol 115.53
    1-chlorooctane 95.55
    1-chlorotetradecane 32.53
    n-nonane 18.38
    undecane 12.43
    tert-butylcyclohexane 52.16
    cyclooctane 67.09
    cyclopentanol 240.69
    tetrahydropyran 1377.9
    tert-amyl methyl ether 479.6
    2,5,8-trioxanonane 296.12
    1-hexene 260.69
    2-isopropoxyethanol 156.1
    2,2,2-trifluoroethanol 25.86
    methyl butyrate 251.14

    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