Abieta-6,8,11,13-tetraene-7,12-diol

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  • Identifiers

    CAS number
    128741-28-6

    Molecular formula
    C20H28O2

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 47.35%
    Woody 46.19%
    Spicy 45.66%
    Dry 35.06%
    Musk 34.4%
    Sweet 31.08%
    Amber 30.93%
    Leathery 30.05%
    Balsamic 29.7%
    Medicinal 27.67%

     

    Flavor
    Bitter 50.57%
    Woody 48.19%
    Camphor 37.2%
    Herbal 26.22%
    Spice 24.28%
    Medicinal 24.22%
    Phenolic 23.14%
    Spicy 22.82%
    Thymol 21.67%
    Pine 21.46%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.9

    pKa est.
    8.82 (weak base)

    Molecular weight
    300.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    476°C

    Flash point

    • 214.41 ˚C est.

  • Synonyms

    • DTXSID601121716
    • Abieta-6,8,11,13-tetraene-7,12-diol
    • (4bS,8aS)-4b,5,6,7,8,8a-Hexahydro-4b,8,8-trimethyl-2-(1-methylethyl)-3,10-phenanthrenediol
    • 128741-28-6
    • 128741-28-6

  • Applications

    Abieta-6,8,11,13-tetraene-7,12-diol (CAS 128741-28-6) is typically used as a reactive intermediate and chiral building block in diterpene chemistry, enabling the synthesis of natural-product–derived compounds for pharmaceutical and specialty chemical applications. In industry it may serve as a starting material for functionalization to access derivatives suitable for coatings and polymer systems (including potential polyurethane or epoxy monomers) and as a scaffold for library development in lead discovery. The diol functionality also supports transformations toward fragrance research as an aroma precursor, and research contexts may include cosmetic formulation development following appropriate derivatization. Applications are usually exploratory and subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 59.66
    methanol 40.39
    isopropanol 54.69
    water 0.03
    ethyl acetate 85.16
    n-propanol 82.52
    acetone 74.82
    n-butanol 91.75
    acetonitrile 18.63
    DMF 327.04
    toluene 105.3
    isobutanol 60.78
    1,4-dioxane 195.78
    methyl acetate 63.88
    THF 450.81
    2-butanone 113.3
    n-pentanol 43.06
    sec-butanol 45.79
    n-hexane 4.47
    ethylene glycol 5.65
    NMP 198.84
    cyclohexane 7.22
    DMSO 69.81
    n-butyl acetate 100.94
    n-octanol 28.37
    chloroform 145.48
    n-propyl acetate 51.66
    acetic acid 23.33
    dichloromethane 102.63
    cyclohexanone 176.19
    propylene glycol 12.66
    isopropyl acetate 83.96
    DMAc 241.3
    2-ethoxyethanol 60.36
    isopentanol 78.37
    n-heptane 4.23
    ethyl formate 30.14
    1,2-dichloroethane 95.1
    n-hexanol 90.77
    2-methoxyethanol 130.75
    isobutyl acetate 54.57
    tetrachloromethane 16.45
    n-pentyl acetate 79.47
    transcutol 223.37
    n-heptanol 46.2
    ethylbenzene 36.73
    MIBK 89.33
    2-propoxyethanol 182.98
    tert-butanol 63.64
    MTBE 106.08
    2-butoxyethanol 96.18
    propionic acid 30.63
    o-xylene 45.91
    formic acid 6.96
    diethyl ether 109.88
    m-xylene 70.43
    p-xylene 42.86
    chlorobenzene 72.73
    dimethyl carbonate 57.78
    n-octane 2.17
    formamide 14.68
    cyclopentanone 242.3
    2-pentanone 123.63
    anisole 74.1
    cyclopentyl methyl ether 175.74
    gamma-butyrolactone 175.62
    1-methoxy-2-propanol 141.63
    pyridine 168.42
    3-pentanone 89.81
    furfural 117.43
    n-dodecane 1.37
    diethylene glycol 74.81
    diisopropyl ether 36.04
    tert-amyl alcohol 50.44
    acetylacetone 102.15
    n-hexadecane 1.73
    acetophenone 67.9
    methyl propionate 96.54
    isopentyl acetate 114.14
    trichloroethylene 197.72
    n-nonanol 29.78
    cyclohexanol 63.0
    benzyl alcohol 52.04
    2-ethylhexanol 47.83
    isooctanol 38.0
    dipropyl ether 61.03
    1,2-dichlorobenzene 63.38
    ethyl lactate 31.64
    propylene carbonate 82.02
    n-methylformamide 65.55
    2-pentanol 54.46
    n-pentane 5.69
    1-propoxy-2-propanol 116.67
    1-methoxy-2-propyl acetate 147.1
    2-(2-methoxypropoxy) propanol 72.53
    mesitylene 35.47
    ε-caprolactone 140.17
    p-cymene 27.95
    epichlorohydrin 234.97
    1,1,1-trichloroethane 74.51
    2-aminoethanol 21.59
    morpholine-4-carbaldehyde 242.47
    sulfolane 170.91
    2,2,4-trimethylpentane 3.95
    2-methyltetrahydrofuran 188.24
    n-hexyl acetate 84.98
    isooctane 3.92
    2-(2-butoxyethoxy)ethanol 99.3
    sec-butyl acetate 49.71
    tert-butyl acetate 101.27
    decalin 5.42
    glycerin 22.88
    diglyme 183.57
    acrylic acid 25.18
    isopropyl myristate 31.79
    n-butyric acid 62.73
    acetyl acetate 45.17
    di(2-ethylhexyl) phthalate 35.39
    ethyl propionate 55.59
    nitromethane 46.73
    1,2-diethoxyethane 97.93
    benzonitrile 53.02
    trioctyl phosphate 27.71
    1-bromopropane 67.68
    gamma-valerolactone 295.82
    n-decanol 20.48
    triethyl phosphate 34.89
    4-methyl-2-pentanol 40.69
    propionitrile 44.14
    vinylene carbonate 75.69
    1,1,2-trichlorotrifluoroethane 104.99
    DMS 77.91
    cumene 25.95
    2-octanol 28.15
    2-hexanone 58.79
    octyl acetate 40.92
    limonene 34.48
    1,2-dimethoxyethane 133.14
    ethyl orthosilicate 38.28
    tributyl phosphate 27.82
    diacetone alcohol 96.73
    N,N-dimethylaniline 59.25
    acrylonitrile 49.36
    aniline 88.78
    1,3-propanediol 49.47
    bromobenzene 77.37
    dibromomethane 69.47
    1,1,2,2-tetrachloroethane 156.27
    2-methyl-cyclohexyl acetate 60.07
    tetrabutyl urea 42.07
    diisobutyl methanol 27.91
    2-phenylethanol 81.47
    styrene 37.94
    dioctyl adipate 42.73
    dimethyl sulfate 79.81
    ethyl butyrate 57.22
    methyl lactate 47.65
    butyl lactate 61.57
    diethyl carbonate 37.14
    propanediol butyl ether 60.64
    triethyl orthoformate 53.33
    p-tert-butyltoluene 31.37
    methyl 4-tert-butylbenzoate 78.42
    morpholine 272.96
    tert-butylamine 39.76
    n-dodecanol 14.32
    dimethoxymethane 242.07
    ethylene carbonate 65.54
    cyrene 77.03
    2-ethoxyethyl acetate 114.52
    2-ethylhexyl acetate 90.69
    1,2,4-trichlorobenzene 79.29
    4-methylpyridine 169.89
    dibutyl ether 32.72
    2,6-dimethyl-4-heptanol 27.91
    DEF 138.48
    dimethyl isosorbide 145.04
    tetrachloroethylene 84.17
    eugenol 75.42
    triacetin 66.08
    span 80 62.11
    1,4-butanediol 13.31
    1,1-dichloroethane 79.8
    2-methyl-1-pentanol 44.7
    methyl formate 39.99
    2-methyl-1-butanol 71.71
    n-decane 2.89
    butyronitrile 55.17
    3,7-dimethyl-1-octanol 31.7
    1-chlorooctane 18.72
    1-chlorotetradecane 6.29
    n-nonane 2.42
    undecane 1.91
    tert-butylcyclohexane 5.52
    cyclooctane 3.38
    cyclopentanol 61.05
    tetrahydropyran 235.25
    tert-amyl methyl ether 72.25
    2,5,8-trioxanonane 104.83
    1-hexene 21.27
    2-isopropoxyethanol 52.28
    2,2,2-trifluoroethanol 11.0
    methyl butyrate 63.48

    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