Bauerenyl acetate

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  • Identifiers

    CAS number
    17020-04-1

    Molecular formula
    C32H52O2

    SMILES
    C[C@@H]1CC[C@@]2(CC[C@@]3(C4=CC[C@@H]5[C@@]([C@H]4CC[C@]3([C@@H]2[C@H]1C)C)(CC[C@@H](C5(C)C)OC(=O)C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 91.26%
    Amber 60.99%
    Dry 56.5%
    Cedar 54.83%
    Sandalwood 46.09%
    Vetiver 42.94%
    Musk 41.6%
    Sweet 39.83%
    Balsamic 39.54%
    Spicy 38.81%

     

    Flavor
    Woody 72.82%
    Sweet 71.39%
    Pine 55.61%
    Camphor 54.89%
    Balsam 45.14%
    Dry 44.76%
    Herbal 43.67%
    Earthy 37.3%
    Fresh 36.05%
    Wood 32.71%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.6

    pKa est.
    6.83 (neutral)

    Molecular weight
    468.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    490°C

    Flash point

    • 235.55 ˚C est.

  • Synonyms

    • Bauerenyl acetate
    • 17020-04-1
    • [(3S,4aR,6aS,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl] acetate
    • ((3S,4aR,6aS,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl) acetate
    • RefChem:116677
    • Bauerenol acetate
    • Bauerel acetate
    • Ilexol, acetate
    • baurenyl acetate
    • orb1683088
    • SCHEMBL29934688
    • DTXSID00937746
    • CHEBI:179066
    • DTHUXXMWYWKQKX-QXZXTIJDSA-N
    • Bauerenol (7-bauerenenol) acetate
    • NSC741684
    • AKOS040761405
    • NSC 741684
    • NSC-741684
    • (3S,4AR,6BS,8AR,11R,12S,12AR,12BS,14AR,14BR)-4,4,6B,8A,11,12,12B,14B-OCTAMETHYL-1,2,3,4,4A,5,6B,7,8,8A,9,10,11,12,12A,12B,13,14,14A,14B-ICOSAHYDROPICEN-3-YL ACETATE
    • FS-10473
    • CS-0023520
    • 26-Norurs-7-en-3-ol, 13-methyl-, 3-acetate, (3b,13a,14b)-
    • (4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,7,8,9,10,11,12,12a,13,14,14a-tetradecahydro-1H-picen-3-yl) acetate
    • 26-Norurs-7-en-3-ol, 13-methyl-, acetate, (3,13,14)- ; Bauerenol acetate ; D:C-Friedours-7-en-3-ol, acetate, (3)-; D:C-Friedours-7-en-3-ol, acetate; Bauerenyl acetate
    • 4,4,6b,8a,11,12,12b,14b-octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-yl acetate
    • 17020-04-1

  • Applications

    Chemical name: Bauerenyl acetate; CAS number: 17020-04-1. Bauerenyl acetate may function as a fragrance ingredient and fixative in perfumery; it may be used as a solvent or processing aid in cosmetics and personal care; it may be employed as a solvent or processing additive in coatings, inks, and adhesives; it may serve as an intermediate in polymer and plastics synthesis; and it may appear as a solvent component in cleaning formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.88
    methanol 6.27
    isopropanol 13.4
    water 0.03
    ethyl acetate 13.95
    n-propanol 20.18
    acetone 15.77
    n-butanol 19.85
    acetonitrile 6.79
    DMF 37.65
    toluene 29.34
    isobutanol 16.35
    1,4-dioxane 34.26
    methyl acetate 11.19
    THF 53.75
    2-butanone 20.38
    n-pentanol 15.55
    sec-butanol 10.97
    n-hexane 1.51
    ethylene glycol 1.37
    NMP 40.72
    cyclohexane 2.11
    DMSO 11.22
    n-butyl acetate 17.51
    n-octanol 10.06
    chloroform 50.4
    n-propyl acetate 12.54
    acetic acid 8.32
    dichloromethane 27.52
    cyclohexanone 35.25
    propylene glycol 3.28
    isopropyl acetate 15.68
    DMAc 42.77
    2-ethoxyethanol 18.62
    isopentanol 16.69
    n-heptane 1.34
    ethyl formate 6.81
    1,2-dichloroethane 18.35
    n-hexanol 19.5
    2-methoxyethanol 20.14
    isobutyl acetate 14.31
    tetrachloromethane 10.12
    n-pentyl acetate 24.95
    transcutol 43.68
    n-heptanol 16.31
    ethylbenzene 11.87
    MIBK 18.86
    2-propoxyethanol 46.69
    tert-butanol 10.72
    MTBE 12.63
    2-butoxyethanol 35.33
    propionic acid 9.42
    o-xylene 14.52
    formic acid 2.66
    diethyl ether 17.38
    m-xylene 19.72
    p-xylene 13.38
    chlorobenzene 23.73
    dimethyl carbonate 10.92
    n-octane 0.56
    formamide 4.05
    cyclopentanone 37.36
    2-pentanone 20.22
    anisole 22.48
    cyclopentyl methyl ether 26.81
    gamma-butyrolactone 28.9
    1-methoxy-2-propanol 28.9
    pyridine 35.19
    3-pentanone 19.7
    furfural 27.16
    n-dodecane 0.3
    diethylene glycol 18.19
    diisopropyl ether 7.1
    tert-amyl alcohol 8.94
    acetylacetone 21.27
    n-hexadecane 0.39
    acetophenone 21.32
    methyl propionate 16.94
    isopentyl acetate 21.44
    trichloroethylene 39.39
    n-nonanol 11.98
    cyclohexanol 14.44
    benzyl alcohol 19.66
    2-ethylhexanol 11.88
    isooctanol 13.8
    dipropyl ether 14.5
    1,2-dichlorobenzene 22.94
    ethyl lactate 9.97
    propylene carbonate 16.0
    n-methylformamide 11.17
    2-pentanol 11.91
    n-pentane 1.83
    1-propoxy-2-propanol 35.06
    1-methoxy-2-propyl acetate 30.94
    2-(2-methoxypropoxy) propanol 24.66
    mesitylene 10.35
    ε-caprolactone 29.99
    p-cymene 8.59
    epichlorohydrin 34.89
    1,1,1-trichloroethane 21.21
    2-aminoethanol 5.9
    morpholine-4-carbaldehyde 50.47
    sulfolane 31.24
    2,2,4-trimethylpentane 1.18
    2-methyltetrahydrofuran 24.14
    n-hexyl acetate 24.98
    isooctane 1.05
    2-(2-butoxyethoxy)ethanol 30.7
    sec-butyl acetate 11.29
    tert-butyl acetate 17.9
    decalin 1.76
    glycerin 5.54
    diglyme 50.91
    acrylic acid 7.98
    isopropyl myristate 9.82
    n-butyric acid 16.08
    acetyl acetate 11.48
    di(2-ethylhexyl) phthalate 14.32
    ethyl propionate 12.86
    nitromethane 13.0
    1,2-diethoxyethane 19.66
    benzonitrile 17.36
    trioctyl phosphate 10.46
    1-bromopropane 14.29
    gamma-valerolactone 59.81
    n-decanol 7.23
    triethyl phosphate 10.05
    4-methyl-2-pentanol 10.15
    propionitrile 13.39
    vinylene carbonate 19.0
    1,1,2-trichlorotrifluoroethane 25.71
    DMS 17.74
    cumene 8.29
    2-octanol 8.59
    2-hexanone 17.31
    octyl acetate 12.25
    limonene 9.16
    1,2-dimethoxyethane 29.19
    ethyl orthosilicate 11.63
    tributyl phosphate 9.21
    diacetone alcohol 19.66
    N,N-dimethylaniline 17.5
    acrylonitrile 12.61
    aniline 23.01
    1,3-propanediol 11.69
    bromobenzene 25.87
    dibromomethane 20.57
    1,1,2,2-tetrachloroethane 33.78
    2-methyl-cyclohexyl acetate 18.22
    tetrabutyl urea 14.02
    diisobutyl methanol 7.29
    2-phenylethanol 26.81
    styrene 12.45
    dioctyl adipate 15.03
    dimethyl sulfate 14.96
    ethyl butyrate 14.09
    methyl lactate 11.25
    butyl lactate 21.79
    diethyl carbonate 9.17
    propanediol butyl ether 22.87
    triethyl orthoformate 15.74
    p-tert-butyltoluene 8.45
    methyl 4-tert-butylbenzoate 31.7
    morpholine 40.48
    tert-butylamine 7.69
    n-dodecanol 4.34
    dimethoxymethane 34.33
    ethylene carbonate 15.6
    cyrene 26.48
    2-ethoxyethyl acetate 33.51
    2-ethylhexyl acetate 18.38
    1,2,4-trichlorobenzene 30.57
    4-methylpyridine 34.96
    dibutyl ether 8.19
    2,6-dimethyl-4-heptanol 7.29
    DEF 22.53
    dimethyl isosorbide 40.32
    tetrachloroethylene 24.05
    eugenol 32.27
    triacetin 24.65
    span 80 22.57
    1,4-butanediol 5.98
    1,1-dichloroethane 17.9
    2-methyl-1-pentanol 12.96
    methyl formate 6.84
    2-methyl-1-butanol 15.02
    n-decane 0.85
    butyronitrile 13.49
    3,7-dimethyl-1-octanol 9.4
    1-chlorooctane 5.22
    1-chlorotetradecane 1.41
    n-nonane 0.69
    undecane 0.48
    tert-butylcyclohexane 1.63
    cyclooctane 1.07
    cyclopentanol 13.81
    tetrahydropyran 31.25
    tert-amyl methyl ether 10.76
    2,5,8-trioxanonane 31.46
    1-hexene 5.73
    2-isopropoxyethanol 17.26
    2,2,2-trifluoroethanol 5.08
    methyl butyrate 14.44

    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