alpha-Amyrin acetate

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  • Identifiers

    CAS number
    863-76-3

    Molecular formula
    C32H52O2

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 91.33%
    Amber 60.81%
    Dry 56.43%
    Cedar 54.6%
    Sandalwood 46.43%
    Vetiver 43.14%
    Musk 41.39%
    Sweet 39.62%
    Balsamic 39.26%
    Spicy 38.43%

     

    Flavor
    Woody 72.29%
    Sweet 70.46%
    Pine 55.27%
    Camphor 54.45%
    Balsam 44.98%
    Dry 44.26%
    Herbal 43.21%
    Earthy 37.05%
    Fresh 35.9%
    Wood 32.46%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.6

    pKa est.
    6.62 (neutral)

    Molecular weight
    468.8 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    489°C

    Flash point

    • 233.68 ˚C est.

  • Synonyms

    • alpha-Amyrin acetate
    • Amyrin acetate
    • 863-76-3
    • alpha-Amyrenyl acetate
    • 266N1630AL
    • NSC-160881
    • [(3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl] acetate
    • 3-O-ACETYL-ALPHA-AMYRIN
    • ((3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl) acetate
    • RefChem:111090
    • (4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-yl) acetate
    • .alpha.-Amyrin acetate
    • .alpha.-Amyrenyl acetate
    • Urs-12-en-3beta-ol, acetate
    • -myrin acetate
    • UNII-266N1630AL
    • |_-Amyrin acetate
    • 3-acety alpha-amyrin
    • NSC 160881
    • alpha-amyrin 3-acetate
    • .ALPHA.-ACETYLAMYRIN
    • urs-12-en-3beta-yl acetate
    • CHEMBL471754
    • orb1707686
    • SCHEMBL3486683
    • Urs-12-en-3beta-ol(acetate)
    • .ALPHA.-AMYRINONE ACETATE
    • CHEBI:179068
    • 3-O-ACETYL-.ALPHA.-AMYRIN
    • HY-N2842
    • .ALPHA.-AMYRIN ACETATE [MI]
    • AKOS032946066
    • FS-9107
    • Urs-12-en-3-ol, acetate, (3beta)-
    • (3S,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-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
    • DA-50351
    • CS-0023417
    • Q27254056
    • 863-76-3

  • Applications

    alpha-Amyrin acetate is primarily used as a fragrance ingredient and fragrance fixative in perfumery and cosmetics, helping to stabilize and extend scent in products such as perfumes, creams, and personal care items; it is also regarded as an important synthetic intermediate for the preparation of other triterpene derivatives and related natural-product materials for research and development; additionally, it may be used as a bio-based additive or modifier in polymer formulations and coatings or inks derived from natural sources, depending on formulation and regulatory considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.44
    methanol 4.27
    isopropanol 10.76
    water 0.02
    ethyl acetate 12.93
    n-propanol 17.75
    acetone 12.94
    n-butanol 19.03
    acetonitrile 5.4
    DMF 29.48
    toluene 32.31
    isobutanol 15.1
    1,4-dioxane 33.99
    methyl acetate 9.97
    THF 52.6
    2-butanone 19.54
    n-pentanol 16.28
    sec-butanol 10.47
    n-hexane 1.56
    ethylene glycol 0.86
    NMP 42.01
    cyclohexane 2.25
    DMSO 8.59
    n-butyl acetate 16.7
    n-octanol 9.55
    chloroform 51.76
    n-propyl acetate 12.22
    acetic acid 6.59
    dichloromethane 27.66
    cyclohexanone 34.59
    propylene glycol 2.37
    isopropyl acetate 14.41
    DMAc 39.54
    2-ethoxyethanol 17.41
    isopentanol 16.26
    n-heptane 1.31
    ethyl formate 5.41
    1,2-dichloroethane 17.77
    n-hexanol 19.28
    2-methoxyethanol 16.75
    isobutyl acetate 14.27
    tetrachloromethane 9.76
    n-pentyl acetate 23.85
    transcutol 43.02
    n-heptanol 15.77
    ethylbenzene 13.78
    MIBK 17.48
    2-propoxyethanol 45.65
    tert-butanol 8.88
    MTBE 12.16
    2-butoxyethanol 34.0
    propionic acid 8.15
    o-xylene 16.03
    formic acid 1.93
    diethyl ether 16.98
    m-xylene 21.29
    p-xylene 15.11
    chlorobenzene 25.84
    dimethyl carbonate 9.01
    n-octane 0.49
    formamide 2.94
    cyclopentanone 35.8
    2-pentanone 19.12
    anisole 25.08
    cyclopentyl methyl ether 26.86
    gamma-butyrolactone 26.75
    1-methoxy-2-propanol 25.42
    pyridine 38.64
    3-pentanone 18.89
    furfural 25.14
    n-dodecane 0.26
    diethylene glycol 15.02
    diisopropyl ether 6.67
    tert-amyl alcohol 8.25
    acetylacetone 18.73
    n-hexadecane 0.33
    acetophenone 22.39
    methyl propionate 15.55
    isopentyl acetate 21.06
    trichloroethylene 39.81
    n-nonanol 11.45
    cyclohexanol 14.39
    benzyl alcohol 20.33
    2-ethylhexanol 12.31
    isooctanol 13.48
    dipropyl ether 14.7
    1,2-dichlorobenzene 23.93
    ethyl lactate 8.79
    propylene carbonate 14.57
    n-methylformamide 8.42
    2-pentanol 11.67
    n-pentane 1.79
    1-propoxy-2-propanol 33.9
    1-methoxy-2-propyl acetate 29.79
    2-(2-methoxypropoxy) propanol 23.95
    mesitylene 11.08
    ε-caprolactone 30.25
    p-cymene 9.21
    epichlorohydrin 33.79
    1,1,1-trichloroethane 20.31
    2-aminoethanol 4.25
    morpholine-4-carbaldehyde 48.19
    sulfolane 29.28
    2,2,4-trimethylpentane 1.2
    2-methyltetrahydrofuran 26.27
    n-hexyl acetate 24.06
    isooctane 1.02
    2-(2-butoxyethoxy)ethanol 30.53
    sec-butyl acetate 11.51
    tert-butyl acetate 17.07
    decalin 1.92
    glycerin 3.96
    diglyme 47.55
    acrylic acid 6.58
    isopropyl myristate 9.19
    n-butyric acid 14.39
    acetyl acetate 10.22
    di(2-ethylhexyl) phthalate 13.86
    ethyl propionate 12.11
    nitromethane 9.94
    1,2-diethoxyethane 19.05
    benzonitrile 17.21
    trioctyl phosphate 9.7
    1-bromopropane 14.99
    gamma-valerolactone 55.9
    n-decanol 6.92
    triethyl phosphate 9.99
    4-methyl-2-pentanol 9.54
    propionitrile 11.3
    vinylene carbonate 16.61
    1,1,2-trichlorotrifluoroethane 23.27
    DMS 16.39
    cumene 9.32
    2-octanol 8.31
    2-hexanone 17.28
    octyl acetate 11.59
    limonene 9.79
    1,2-dimethoxyethane 27.37
    ethyl orthosilicate 11.96
    tributyl phosphate 8.6
    diacetone alcohol 18.44
    N,N-dimethylaniline 19.33
    acrylonitrile 10.34
    aniline 24.81
    1,3-propanediol 9.16
    bromobenzene 28.81
    dibromomethane 21.3
    1,1,2,2-tetrachloroethane 34.5
    2-methyl-cyclohexyl acetate 19.04
    tetrabutyl urea 13.08
    diisobutyl methanol 7.26
    2-phenylethanol 27.51
    styrene 14.48
    dioctyl adipate 14.73
    dimethyl sulfate 12.89
    ethyl butyrate 13.9
    methyl lactate 9.22
    butyl lactate 20.59
    diethyl carbonate 8.87
    propanediol butyl ether 21.14
    triethyl orthoformate 16.28
    p-tert-butyltoluene 8.88
    methyl 4-tert-butylbenzoate 30.95
    morpholine 40.96
    tert-butylamine 6.63
    n-dodecanol 4.11
    dimethoxymethane 27.76
    ethylene carbonate 13.68
    cyrene 27.97
    2-ethoxyethyl acetate 31.67
    2-ethylhexyl acetate 18.53
    1,2,4-trichlorobenzene 32.86
    4-methylpyridine 38.03
    dibutyl ether 7.83
    2,6-dimethyl-4-heptanol 7.26
    DEF 21.58
    dimethyl isosorbide 40.49
    tetrachloroethylene 23.52
    eugenol 31.19
    triacetin 23.12
    span 80 22.13
    1,4-butanediol 4.79
    1,1-dichloroethane 17.51
    2-methyl-1-pentanol 13.92
    methyl formate 5.05
    2-methyl-1-butanol 15.22
    n-decane 0.76
    butyronitrile 12.17
    3,7-dimethyl-1-octanol 9.22
    1-chlorooctane 4.96
    1-chlorotetradecane 1.28
    n-nonane 0.61
    undecane 0.42
    tert-butylcyclohexane 1.73
    cyclooctane 1.13
    cyclopentanol 13.46
    tetrahydropyran 33.9
    tert-amyl methyl ether 10.94
    2,5,8-trioxanonane 29.79
    1-hexene 6.3
    2-isopropoxyethanol 16.66
    2,2,2-trifluoroethanol 3.82
    methyl butyrate 13.79

    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