Taraxerol

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  • Identifiers

    CAS number
    127-22-0

    Molecular formula
    C30H50O

    SMILES
    C[C@]12CCC(C[C@H]1[C@@]3(CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4(C3=CC2)C)(C)C)O)C)C)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 90.88%
    Amber 63.32%
    Dry 59.11%
    Cedar 50.09%
    Musk 47.4%
    Sweet 40.56%
    Sandalwood 40.5%
    Spicy 37.91%
    Vetiver 36.7%
    Powdery 33.55%

     

    Flavor
    Sweet 70.24%
    Woody 69.87%
    Camphor 51.76%
    Dry 50.66%
    Pine 48.27%
    Earthy 43.52%
    Fresh 38.09%
    Balsam 37.37%
    Medical 33.13%
    Spicy 32.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.3

    pKa est.
    7.86 (neutral)

    Molecular weight
    426.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    507°C

    Flash point

    • 225.71 ˚C est.

  • Synonyms

    • Taraxerol
    • 127-22-0
    • alnulin
    • skimmiol
    • tiliadin
    • D-Friedoolean-14-en-3beta-ol
    • (3S,4aR,6aR,8aR,12aR,12bS,14aR,14bR)-4,4,6a,8a,11,11,12b,14b-octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol
    • (3beta)-D-friedoolean-14-en-3-ol
    • (3S,4aR,6aR,6aS,8aR,12aR,14aR,14bR)-4,4,6a,6a,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol
    • CHEBI:9402
    • A32778O852
    • DTXSID001026552
    • RefChem:51887
    • D-friedoolean-14-en-3 beta-ol
    • DTXCID401510717
    • MFCD13186859
    • CHEMBL511822
    • 27-Norolean-14-en-3-ol, 13-methyl-, (3beta,13alpha)-
    • 3beta-Taraxerol
    • UNII-A32778O852
    • Taraxerol (Standard)
    • TARAXEROL [MI]
    • 27-Norolean-14-en-3-ol, 13-methyl-, (3|A,13|A)-
    • SCHEMBL569463
    • orb1684967
    • HY-N2477R
    • HY-N2477
    • 3beta-Taraxerol, analytical standard
    • BDBM50242128
    • ISOOLEAN-14-EN-3.BETA.-OL
    • AKOS032962064
    • EBC-476045
    • D-Friedoolean-14-en-3-ol, (3beta)-
    • AS-80186
    • DA-78200
    • XT176542
    • CS-0022748
    • (3.BETA.)-D-FRIEDOOLEAN-14-EN-3-OL
    • C08637
    • 27-NOROLEAN-14-EN-3-OL, 13-METHYL-, (3.BETA.,13.ALPHA.)-
    • 127-22-0

  • Applications

    Taraxerol (CAS 127-22-0) is a naturally occurring pentacyclic triterpene. In industry, it is commonly evaluated as an odorant or fixative for perfumery, used as a botanical extract/component in cosmetics and personal care, employed as a chemical intermediate or building block for the synthesis of other triterpenoid derivatives, and studied in pharmaceutical research as a lead compound or starting point for medicinal chemistry investigations of plant-derived triterpenes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.96
    methanol 1.45
    isopropanol 3.78
    water 0.01
    ethyl acetate 9.36
    n-propanol 6.89
    acetone 7.15
    n-butanol 8.81
    acetonitrile 1.83
    DMF 14.23
    toluene 20.95
    isobutanol 6.23
    1,4-dioxane 19.85
    methyl acetate 5.42
    THF 39.18
    2-butanone 10.78
    n-pentanol 7.15
    sec-butanol 4.22
    n-hexane 1.27
    ethylene glycol 0.29
    NMP 23.25
    cyclohexane 1.2
    DMSO 4.16
    n-butyl acetate 13.35
    n-octanol 8.0
    chloroform 21.8
    n-propyl acetate 8.13
    acetic acid 2.78
    dichloromethane 11.62
    cyclohexanone 19.93
    propylene glycol 0.84
    isopropyl acetate 12.24
    DMAc 22.43
    2-ethoxyethanol 9.17
    isopentanol 9.06
    n-heptane 1.63
    ethyl formate 2.77
    1,2-dichloroethane 8.02
    n-hexanol 10.49
    2-methoxyethanol 8.71
    isobutyl acetate 10.59
    tetrachloromethane 4.72
    n-pentyl acetate 19.28
    transcutol 39.0
    n-heptanol 12.19
    ethylbenzene 9.57
    MIBK 14.53
    2-propoxyethanol 25.84
    tert-butanol 4.41
    MTBE 9.54
    2-butoxyethanol 25.32
    propionic acid 3.32
    o-xylene 10.96
    formic acid 0.68
    diethyl ether 12.02
    m-xylene 16.65
    p-xylene 9.76
    chlorobenzene 14.0
    dimethyl carbonate 5.5
    n-octane 0.55
    formamide 1.12
    cyclopentanone 22.27
    2-pentanone 13.86
    anisole 19.87
    cyclopentyl methyl ether 22.24
    gamma-butyrolactone 15.92
    1-methoxy-2-propanol 13.93
    pyridine 21.97
    3-pentanone 11.94
    furfural 14.28
    n-dodecane 0.24
    diethylene glycol 6.79
    diisopropyl ether 6.44
    tert-amyl alcohol 4.7
    acetylacetone 15.37
    n-hexadecane 0.31
    acetophenone 15.14
    methyl propionate 10.11
    isopentyl acetate 18.35
    trichloroethylene 19.97
    n-nonanol 10.06
    cyclohexanol 6.68
    benzyl alcohol 10.68
    2-ethylhexanol 9.36
    isooctanol 11.9
    dipropyl ether 15.34
    1,2-dichlorobenzene 13.41
    ethyl lactate 5.08
    propylene carbonate 8.93
    n-methylformamide 3.29
    2-pentanol 6.28
    n-pentane 1.37
    1-propoxy-2-propanol 24.29
    1-methoxy-2-propyl acetate 26.24
    2-(2-methoxypropoxy) propanol 20.91
    mesitylene 9.4
    ε-caprolactone 18.38
    p-cymene 9.14
    epichlorohydrin 19.45
    1,1,1-trichloroethane 10.37
    2-aminoethanol 1.51
    morpholine-4-carbaldehyde 28.59
    sulfolane 15.86
    2,2,4-trimethylpentane 1.06
    2-methyltetrahydrofuran 18.07
    n-hexyl acetate 20.2
    isooctane 1.15
    2-(2-butoxyethoxy)ethanol 27.28
    sec-butyl acetate 8.85
    tert-butyl acetate 16.7
    decalin 1.45
    glycerin 1.66
    diglyme 45.55
    acrylic acid 2.6
    isopropyl myristate 8.04
    n-butyric acid 7.91
    acetyl acetate 7.26
    di(2-ethylhexyl) phthalate 10.65
    ethyl propionate 9.11
    nitromethane 4.68
    1,2-diethoxyethane 17.25
    benzonitrile 8.94
    trioctyl phosphate 7.32
    1-bromopropane 7.51
    gamma-valerolactone 34.9
    n-decanol 5.87
    triethyl phosphate 8.15
    4-methyl-2-pentanol 6.73
    propionitrile 4.45
    vinylene carbonate 8.89
    1,1,2-trichlorotrifluoroethane 11.29
    DMS 11.67
    cumene 7.45
    2-octanol 6.91
    2-hexanone 10.66
    octyl acetate 9.52
    limonene 9.18
    1,2-dimethoxyethane 18.26
    ethyl orthosilicate 10.2
    tributyl phosphate 6.45
    diacetone alcohol 14.48
    N,N-dimethylaniline 17.31
    acrylonitrile 3.88
    aniline 13.54
    1,3-propanediol 3.85
    bromobenzene 17.16
    dibromomethane 9.02
    1,1,2,2-tetrachloroethane 16.01
    2-methyl-cyclohexyl acetate 14.79
    tetrabutyl urea 9.91
    diisobutyl methanol 7.41
    2-phenylethanol 17.03
    styrene 9.78
    dioctyl adipate 11.95
    dimethyl sulfate 7.66
    ethyl butyrate 12.13
    methyl lactate 5.0
    butyl lactate 14.96
    diethyl carbonate 7.03
    propanediol butyl ether 14.63
    triethyl orthoformate 14.7
    p-tert-butyltoluene 9.62
    methyl 4-tert-butylbenzoate 27.06
    morpholine 22.75
    tert-butylamine 3.83
    n-dodecanol 3.4
    dimethoxymethane 18.57
    ethylene carbonate 7.47
    cyrene 17.8
    2-ethoxyethyl acetate 25.46
    2-ethylhexyl acetate 16.06
    1,2,4-trichlorobenzene 18.41
    4-methylpyridine 21.47
    dibutyl ether 7.75
    2,6-dimethyl-4-heptanol 7.41
    DEF 14.86
    dimethyl isosorbide 36.62
    tetrachloroethylene 10.49
    eugenol 25.32
    triacetin 18.39
    span 80 18.15
    1,4-butanediol 1.68
    1,1-dichloroethane 7.98
    2-methyl-1-pentanol 7.75
    methyl formate 2.26
    2-methyl-1-butanol 8.17
    n-decane 0.77
    butyronitrile 5.86
    3,7-dimethyl-1-octanol 8.44
    1-chlorooctane 4.32
    1-chlorotetradecane 1.06
    n-nonane 0.65
    undecane 0.4
    tert-butylcyclohexane 1.64
    cyclooctane 0.85
    cyclopentanol 5.62
    tetrahydropyran 19.87
    tert-amyl methyl ether 9.07
    2,5,8-trioxanonane 27.88
    1-hexene 4.27
    2-isopropoxyethanol 9.35
    2,2,2-trifluoroethanol 1.51
    methyl butyrate 9.42

    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