(3beta,13alpha)-13-Methyl-27-norolean-14-ene-3,28-diol

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  • Identifiers

    CAS number
    17884-88-7

    Molecular formula
    C30H50O2

    SMILES
    C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC[C@@]4(C3=CC[C@@]5([C@H]4CC(CC5)(C)C)CO)C)C)(C)C)O

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  • Odor profile

    Fragrance
    Woody 90.71%
    Amber 64.69%
    Dry 56.5%
    Sandalwood 51.78%
    Cedar 51.77%
    Musk 50.06%
    Vetiver 39.77%
    Balsamic 39.12%
    Sweet 38.87%
    Earthy 35.87%

     

    Flavor
    Woody 72.36%
    Sweet 69.39%
    Pine 51.3%
    Camphor 50.77%
    Earthy 48.39%
    Dry 47.06%
    Balsam 44.68%
    Spicy 40.38%
    Fresh 38.59%
    Earth 34.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.9

    pKa est.
    7.98 (neutral)

    Molecular weight
    442.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    227°C

    Flash point

    • 254.78 ˚C est.

  • Synonyms

    • Myricadiol
    • 17884-88-7
    • 89VO0CMD4F
    • D-Friedoolean-14-ene-3,28-diol, (3beta)-
    • RefChem:43429
    • (3beta,13alpha)-13-Methyl-27-norolean-14-ene-3,28-diol
    • D-Friedoolean-14-ene-3beta,28-diol
    • UNII-89VO0CMD4F
    • (3S,4aR,6aR,6aS,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol
    • orb1682065
    • SCHEMBL4202103
    • DTXSID80939122
    • HY-N3227
    • AKOS026674274
    • D-Friedoolean-14-ene-3|A,28-diol
    • (3S,4AR,6AR,8AS,12AS,12BS,14AR,14BR)-8A-(HYDROXYMETHYL)-4,4,6A,11,11,12B,14B-HEPTAMETHYL-1,2,3,4,4A,5,6,6A,8,8A,9,10,11,12,12A,12B,13,14,14A,14B-ICOSAHYDROPICEN-3-OL
    • DA-72710
    • FS-10495
    • TARAXER-14-ENE-3.BETA.,28-DIOL
    • CS-0023653
    • D-FRIEDOOLEAN-14-ENE-3.BETA.,28-DIOL
    • Q27270069
    • D-FRIEDOOLEAN-14-ENE-3,28-DIOL, (3.BETA.)-
    • D-Friedoolean-14-ene-3,28-diol, (3)-; Taraxer-14-ene-3,28-diol
    • 27-NOROLEAN-14-ENE-3,28-DIOL, 13-METHYL-, (3.BETA.,13.ALPHA.)-
    • 4A(2H)-PICENEMETHANOL, 1,3,4,5,6B,7,8,8A,9,10,11,12,12A,12B,13,14,14A,14B-OCTADECAHYDRO-10-HYDROXY-2,2,6B,9,9,12A,14A-HEPTAMETHYL-, (4AS,6BR,8AR,10S,12AR,12BR,14AS,14BS)-
    • 4A(2H)-PICENEMETHANOL, 1,3,4,5,6B,7,8,8A,9,10,11,12,12A,12B,13,14,14A,14B-OCTADECAHYDRO-10-HYDROXY-2,2,6B,9,9,12A,14A-HEPTAMETHYL-, (4AS-(4A.ALPHA.,6B.ALPHA.,8A.BETA.,10.ALPHA.,12A.ALPHA.,12B.BETA.,14A.BETA.,14B.ALPHA.))-
    • 8a-(hydroxymethyl)-4,4,6a,11,11,12b,14b-heptamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol
    • 17884-88-7

  • Applications

    (3beta,13alpha)-13-Methyl-27-norolean-14-ene-3,28-diol (CAS 17884-88-7) is a noroleanane-type triterpenoid diol that commonly serves as a chemical intermediate or scaffold for the synthesis of steroidal and triterpenoid derivatives in pharmaceutical development. In cosmetics and personal care, related triterpenoid diols are explored as bioactive ingredients and as precursors for cosmetic actives targeting skin and hair care. In industrial manufacturing, it may be used as an intermediate to access more complex organic molecules and to support development of specialty chemicals. In research settings, it is used as a reference standard and starting material for the exploration of diol-containing triterpenoids and their structure-activity relationships.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.87
    methanol 2.21
    isopropanol 3.31
    water 0.01
    ethyl acetate 5.36
    n-propanol 6.37
    acetone 5.05
    n-butanol 7.02
    acetonitrile 1.45
    DMF 16.63
    toluene 8.72
    isobutanol 4.82
    1,4-dioxane 15.16
    methyl acetate 3.65
    THF 29.7
    2-butanone 6.96
    n-pentanol 5.17
    sec-butanol 2.74
    n-hexane 0.37
    ethylene glycol 0.39
    NMP 19.27
    cyclohexane 0.32
    DMSO 4.96
    n-butyl acetate 6.54
    n-octanol 4.78
    chloroform 14.31
    n-propyl acetate 4.48
    acetic acid 2.92
    dichloromethane 7.18
    cyclohexanone 11.84
    propylene glycol 1.03
    isopropyl acetate 6.4
    DMAc 18.51
    2-ethoxyethanol 8.68
    isopentanol 5.89
    n-heptane 0.5
    ethyl formate 2.14
    1,2-dichloroethane 4.85
    n-hexanol 6.16
    2-methoxyethanol 9.87
    isobutyl acetate 5.43
    tetrachloromethane 2.58
    n-pentyl acetate 10.84
    transcutol 30.06
    n-heptanol 8.05
    ethylbenzene 3.86
    MIBK 7.68
    2-propoxyethanol 22.66
    tert-butanol 3.24
    MTBE 4.75
    2-butoxyethanol 20.68
    propionic acid 2.95
    o-xylene 4.46
    formic acid 0.99
    diethyl ether 6.07
    m-xylene 6.71
    p-xylene 3.89
    chlorobenzene 7.25
    dimethyl carbonate 4.36
    n-octane 0.18
    formamide 1.49
    cyclopentanone 15.37
    2-pentanone 8.13
    anisole 10.52
    cyclopentyl methyl ether 11.91
    gamma-butyrolactone 11.94
    1-methoxy-2-propanol 14.4
    pyridine 15.07
    3-pentanone 6.44
    furfural 11.32
    n-dodecane 0.08
    diethylene glycol 7.75
    diisopropyl ether 2.4
    tert-amyl alcohol 2.76
    acetylacetone 9.44
    n-hexadecane 0.1
    acetophenone 8.75
    methyl propionate 6.75
    isopentyl acetate 9.01
    trichloroethylene 12.99
    n-nonanol 5.88
    cyclohexanol 3.83
    benzyl alcohol 7.72
    2-ethylhexanol 4.56
    isooctanol 7.12
    dipropyl ether 6.86
    1,2-dichlorobenzene 6.66
    ethyl lactate 3.8
    propylene carbonate 6.11
    n-methylformamide 3.86
    2-pentanol 3.55
    n-pentane 0.38
    1-propoxy-2-propanol 18.25
    1-methoxy-2-propyl acetate 16.2
    2-(2-methoxypropoxy) propanol 13.85
    mesitylene 3.46
    ε-caprolactone 10.93
    p-cymene 3.63
    epichlorohydrin 14.55
    1,1,1-trichloroethane 5.3
    2-aminoethanol 1.89
    morpholine-4-carbaldehyde 25.36
    sulfolane 13.7
    2,2,4-trimethylpentane 0.34
    2-methyltetrahydrofuran 9.98
    n-hexyl acetate 10.9
    isooctane 0.36
    2-(2-butoxyethoxy)ethanol 20.1
    sec-butyl acetate 4.33
    tert-butyl acetate 8.6
    decalin 0.43
    glycerin 2.16
    diglyme 33.26
    acrylic acid 2.55
    isopropyl myristate 3.48
    n-butyric acid 6.15
    acetyl acetate 4.44
    di(2-ethylhexyl) phthalate 6.14
    ethyl propionate 4.89
    nitromethane 4.66
    1,2-diethoxyethane 9.17
    benzonitrile 5.46
    trioctyl phosphate 4.12
    1-bromopropane 3.28
    gamma-valerolactone 26.15
    n-decanol 3.06
    triethyl phosphate 4.15
    4-methyl-2-pentanol 3.59
    propionitrile 3.1
    vinylene carbonate 6.55
    1,1,2-trichlorotrifluoroethane 10.48
    DMS 7.12
    cumene 2.95
    2-octanol 3.79
    2-hexanone 5.79
    octyl acetate 4.82
    limonene 3.61
    1,2-dimethoxyethane 14.08
    ethyl orthosilicate 5.09
    tributyl phosphate 3.38
    diacetone alcohol 9.95
    N,N-dimethylaniline 8.86
    acrylonitrile 3.25
    aniline 8.23
    1,3-propanediol 4.22
    bromobenzene 7.63
    dibromomethane 5.11
    1,1,2,2-tetrachloroethane 10.18
    2-methyl-cyclohexyl acetate 7.43
    tetrabutyl urea 5.24
    diisobutyl methanol 3.38
    2-phenylethanol 11.08
    styrene 4.06
    dioctyl adipate 6.4
    dimethyl sulfate 6.81
    ethyl butyrate 6.0
    methyl lactate 4.77
    butyl lactate 10.46
    diethyl carbonate 3.5
    propanediol butyl ether 12.77
    triethyl orthoformate 7.23
    p-tert-butyltoluene 3.91
    methyl 4-tert-butylbenzoate 16.79
    morpholine 18.62
    tert-butylamine 2.1
    n-dodecanol 1.52
    dimethoxymethane 17.96
    ethylene carbonate 5.39
    cyrene 13.41
    2-ethoxyethyl acetate 15.95
    2-ethylhexyl acetate 7.19
    1,2,4-trichlorobenzene 9.62
    4-methylpyridine 12.83
    dibutyl ether 3.05
    2,6-dimethyl-4-heptanol 3.38
    DEF 9.25
    dimethyl isosorbide 23.79
    tetrachloroethylene 7.2
    eugenol 17.41
    triacetin 11.3
    span 80 12.37
    1,4-butanediol 1.76
    1,1-dichloroethane 4.31
    2-methyl-1-pentanol 4.49
    methyl formate 2.51
    2-methyl-1-butanol 5.08
    n-decane 0.25
    butyronitrile 3.61
    3,7-dimethyl-1-octanol 4.29
    1-chlorooctane 1.62
    1-chlorotetradecane 0.35
    n-nonane 0.21
    undecane 0.13
    tert-butylcyclohexane 0.49
    cyclooctane 0.23
    cyclopentanol 4.02
    tetrahydropyran 10.72
    tert-amyl methyl ether 3.96
    2,5,8-trioxanonane 19.34
    1-hexene 1.5
    2-isopropoxyethanol 7.52
    2,2,2-trifluoroethanol 1.52
    methyl butyrate 5.26

    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