Beta-Amyrin Acetate

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  • Identifiers

    CAS number
    1616-93-9

    Molecular formula
    C32H52O2

    SMILES
    CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 91.82%
    Amber 63.7%
    Dry 59.68%
    Cedar 56.43%
    Musk 45.05%
    Vetiver 43.35%
    Sandalwood 41.16%
    Spicy 38.93%
    Balsamic 37.65%
    Sweet 37.62%

     

    Flavor
    Sweet 72.27%
    Woody 71.18%
    Camphor 56.52%
    Pine 55.56%
    Dry 47.22%
    Balsam 41.15%
    Herbal 40.32%
    Fresh 37.01%
    Earthy 36.98%
    Medical 31.41%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.7

    pKa est.
    6.94 (neutral)

    Molecular weight
    468.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    485°C

    Flash point

    • 235.79 ˚C est.

  • Synonyms

    • beta-Amyrin acetate
    • 1616-93-9
    • AM1H7102OC
    • [(3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate
    • (3beta)-olean-12-en-3-yl acetate
    • NSC-403166
    • ((3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) acetate
    • RefChem:119200
    • AMYRIN, ACETATE, B-
    • CHEMBL489760
    • Olean-12-en-3-ol, 3-acetate, (3beta)-
    • (3S,4aR,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl acetate
    • beta-Amyrenyl acetate
    • O-Acetyl-beta-amyrin
    • .beta.-Amyrin acetate
    • 3-O-Acetyl-beta-amyrin
    • UNII-AM1H7102OC
    • beta-acetylamyrin
    • Beta-Amyrinacetate
    • Olean-12-en-3-ol, acetate, (3beta)-
    • Germanicol 3-Acetate
    • NSC 403166
    • 3-acetyl-beta-amyranol
    • orb1297446
    • SCHEMBL29602022
    • Olean-12-en-3beta-ol, acetate
    • CHEBI:190930
    • EX-A6673
    • HY-N2923
    • BDBM50260203
    • MFCD00200955
    • MSK195201
    • AKOS040760296
    • EBC-616334
    • Olean-12-en-3-ol, acetate, (3)-
    • AC-37067
    • DA-51060
    • MS-28662
    • CS-0023529
    • Olean-12-en-3-ol, 3-acetate, (3|A)-
    • OLEAN-12-EN-3-OL, 3-ACETATE, (3.BETA.)-
    • Q27273993
    • 1616-93-9

  • Applications

    Beta-Amyrin Acetate (CAS 1616-93-9) is a plant-derived triterpenoid ester that may be used across several industrial domains: as a fragrance ingredient or fixative in fragrance and flavor formulations based on plant extracts; may be used in cosmetics and personal care as an emollient and a biobased resin-like component to enhance gloss and texture; as an additive or biobased resin in coatings, inks, and adhesives to improve adhesion and film formation; as an intermediate for the synthesis of triterpene derivatives in pharmaceutical research; and in plastics, coatings, and printing applications as a bio-based constituent for specialized resins and coating systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.31
    methanol 3.46
    isopropanol 11.25
    water 0.01
    ethyl acetate 18.43
    n-propanol 18.49
    acetone 15.61
    n-butanol 20.41
    acetonitrile 5.66
    DMF 35.88
    toluene 39.87
    isobutanol 16.09
    1,4-dioxane 43.9
    methyl acetate 12.77
    THF 72.61
    2-butanone 24.86
    n-pentanol 18.27
    sec-butanol 12.67
    n-hexane 2.13
    ethylene glycol 0.74
    NMP 51.27
    cyclohexane 2.7
    DMSO 10.54
    n-butyl acetate 22.41
    n-octanol 12.29
    chloroform 67.07
    n-propyl acetate 16.08
    acetic acid 7.68
    dichloromethane 33.12
    cyclohexanone 40.75
    propylene glycol 2.43
    isopropyl acetate 20.23
    DMAc 52.07
    2-ethoxyethanol 20.6
    isopentanol 18.56
    n-heptane 1.69
    ethyl formate 6.51
    1,2-dichloroethane 20.47
    n-hexanol 22.75
    2-methoxyethanol 19.83
    isobutyl acetate 18.97
    tetrachloromethane 11.17
    n-pentyl acetate 29.21
    transcutol 60.32
    n-heptanol 18.66
    ethylbenzene 18.19
    MIBK 22.64
    2-propoxyethanol 53.8
    tert-butanol 10.19
    MTBE 17.38
    2-butoxyethanol 41.38
    propionic acid 9.16
    o-xylene 19.91
    formic acid 1.87
    diethyl ether 22.7
    m-xylene 26.63
    p-xylene 19.26
    chlorobenzene 31.22
    dimethyl carbonate 11.25
    n-octane 0.64
    formamide 2.95
    cyclopentanone 42.84
    2-pentanone 25.37
    anisole 32.71
    cyclopentyl methyl ether 36.08
    gamma-butyrolactone 33.09
    1-methoxy-2-propanol 30.45
    pyridine 47.42
    3-pentanone 24.35
    furfural 30.39
    n-dodecane 0.34
    diethylene glycol 14.99
    diisopropyl ether 9.18
    tert-amyl alcohol 10.83
    acetylacetone 24.44
    n-hexadecane 0.44
    acetophenone 27.86
    methyl propionate 21.27
    isopentyl acetate 27.94
    trichloroethylene 51.16
    n-nonanol 14.42
    cyclohexanol 16.95
    benzyl alcohol 23.63
    2-ethylhexanol 15.0
    isooctanol 16.34
    dipropyl ether 20.35
    1,2-dichlorobenzene 28.76
    ethyl lactate 10.96
    propylene carbonate 18.91
    n-methylformamide 9.15
    2-pentanol 14.22
    n-pentane 2.28
    1-propoxy-2-propanol 43.15
    1-methoxy-2-propyl acetate 40.67
    2-(2-methoxypropoxy) propanol 30.57
    mesitylene 13.84
    ε-caprolactone 38.46
    p-cymene 11.36
    epichlorohydrin 43.93
    1,1,1-trichloroethane 25.99
    2-aminoethanol 4.06
    morpholine-4-carbaldehyde 62.12
    sulfolane 34.85
    2,2,4-trimethylpentane 1.6
    2-methyltetrahydrofuran 36.04
    n-hexyl acetate 31.22
    isooctane 1.33
    2-(2-butoxyethoxy)ethanol 38.54
    sec-butyl acetate 16.02
    tert-butyl acetate 23.52
    decalin 2.53
    glycerin 3.9
    diglyme 62.46
    acrylic acid 7.14
    isopropyl myristate 11.9
    n-butyric acid 17.0
    acetyl acetate 13.63
    di(2-ethylhexyl) phthalate 16.14
    ethyl propionate 16.9
    nitromethane 12.01
    1,2-diethoxyethane 27.15
    benzonitrile 19.99
    trioctyl phosphate 11.36
    1-bromopropane 18.37
    gamma-valerolactone 70.16
    n-decanol 8.7
    triethyl phosphate 12.57
    4-methyl-2-pentanol 12.09
    propionitrile 11.9
    vinylene carbonate 20.48
    1,1,2-trichlorotrifluoroethane 28.19
    DMS 21.07
    cumene 12.06
    2-octanol 10.59
    2-hexanone 22.07
    octyl acetate 14.67
    limonene 12.3
    1,2-dimethoxyethane 35.79
    ethyl orthosilicate 15.12
    tributyl phosphate 10.66
    diacetone alcohol 23.71
    N,N-dimethylaniline 25.53
    acrylonitrile 11.14
    aniline 29.58
    1,3-propanediol 9.41
    bromobenzene 34.97
    dibromomethane 25.33
    1,1,2,2-tetrachloroethane 43.89
    2-methyl-cyclohexyl acetate 23.71
    tetrabutyl urea 15.93
    diisobutyl methanol 9.17
    2-phenylethanol 31.96
    styrene 18.68
    dioctyl adipate 18.34
    dimethyl sulfate 16.28
    ethyl butyrate 18.66
    methyl lactate 11.17
    butyl lactate 25.77
    diethyl carbonate 11.38
    propanediol butyl ether 25.54
    triethyl orthoformate 21.46
    p-tert-butyltoluene 11.3
    methyl 4-tert-butylbenzoate 37.45
    morpholine 53.76
    tert-butylamine 7.97
    n-dodecanol 5.18
    dimethoxymethane 34.28
    ethylene carbonate 17.1
    cyrene 32.82
    2-ethoxyethyl acetate 39.89
    2-ethylhexyl acetate 24.43
    1,2,4-trichlorobenzene 38.64
    4-methylpyridine 47.77
    dibutyl ether 11.37
    2,6-dimethyl-4-heptanol 9.17
    DEF 29.46
    dimethyl isosorbide 51.41
    tetrachloroethylene 27.54
    eugenol 36.3
    triacetin 29.75
    span 80 27.85
    1,4-butanediol 4.44
    1,1-dichloroethane 21.85
    2-methyl-1-pentanol 16.56
    methyl formate 5.63
    2-methyl-1-butanol 17.67
    n-decane 1.0
    butyronitrile 14.16
    3,7-dimethyl-1-octanol 12.07
    1-chlorooctane 6.58
    1-chlorotetradecane 1.69
    n-nonane 0.82
    undecane 0.55
    tert-butylcyclohexane 2.29
    cyclooctane 1.35
    cyclopentanol 15.51
    tetrahydropyran 44.19
    tert-amyl methyl ether 16.03
    2,5,8-trioxanonane 37.5
    1-hexene 8.54
    2-isopropoxyethanol 20.71
    2,2,2-trifluoroethanol 4.11
    methyl butyrate 18.29

    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