Beta-Amyrin

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  • Identifiers

    CAS number
    559-70-6

    Molecular formula
    C30H50O

    SMILES
    C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]1CC(CC2)(C)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 90.45%
    Amber 61.07%
    Dry 58.57%
    Cedar 49.16%
    Musk 44.32%
    Sweet 41.25%
    Sandalwood 40.52%
    Spicy 38.15%
    Vetiver 36.04%
    Balsamic 34.69%

     

    Flavor
    Woody 70.7%
    Sweet 66.53%
    Camphor 55.57%
    Pine 51.31%
    Dry 49.16%
    Earthy 45.98%
    Balsam 38.39%
    Fresh 38.07%
    Medical 34.35%
    Earth 34.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    9.2

    pKa est.
    7.62 (neutral)

    Molecular weight
    426.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    509°C

    Flash point

    • 221.32 ˚C est.

  • Synonyms

    • beta-Amyrin
    • 559-70-6
    • Olean-12-en-3beta-ol
    • (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-ol
    • KM8353IPSO
    • CHEBI:10352
    • DTXSID201025005
    • NSC-527971
    • RefChem:29763
    • DTXCID201509231
    • 209-204-6
    • Amyrin
    • B-Amyrin
    • Olean-12-en-3-ol, (3b)-
    • MFCD00017381
    • 3beta-hydroxyolean-12-ene
    • CHEMBL455098
    • (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-ol
    • UNII-KM8353IPSO
    • -amyrin
    • beta.-Amyrenol
    • beta -Amyrin
    • beta.-Amyrin
    • EINECS 209-204-6
    • I(2)-Amyrin
    • NSC 527971
    • Olean-12-en-3b-ol
    • AMYRIN, BETA-
    • 12-Oleanen-3-beta-ol
    • .BETA.-AMYRIN [MI]
    • SCHEMBL377754
    • (3beta)-olean-12-en-3-ol
    • orb1297602
    • beta-Amyrin, analytical standard
    • Olean-12-en-3-ol, (3beta)-
    • EX-A6672
    • HY-N2922
    • (3-.beta.)-Olean-12-en-3-ol
    • Olean-12-en-3-ol, (3|A)-
    • BDBM50241955
    • AKOS032962060
    • EBC-616664
    • FA16227
    • LMPR0106150015
    • BS-32560
    • CS-0023527
    • NS00076600
    • C08616
    • D85202
    • 559A706
    • Q27108621
    • (3S,4aR,5R,6aR,6bR,8S,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-eicosahydro-picen-3-ol
    • 559-70-6

  • Applications

    Beta-Amyrin (CAS 559-70-6) is a pentacyclic triterpene occurring in many plant resins and waxes. In industry it is mainly used as a starting material for the synthesis of oleanane- and ursane-type triterpenoids and as an intermediate for the production of related saponins and steroid precursors. It is also encountered as a natural component in botanical extracts incorporated into cosmetic and personal-care formulations, where it contributes to the plant-based character of the products. Additionally, beta-amyrin may be evaluated as a bio-based building block for research in polymers and coatings, and it may appear in fragrance formulations as a minor natural constituent, depending on regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.39
    methanol 1.17
    isopropanol 3.56
    water 0.01
    ethyl acetate 9.16
    n-propanol 5.79
    acetone 6.71
    n-butanol 8.1
    acetonitrile 1.56
    DMF 12.62
    toluene 21.56
    isobutanol 5.43
    1,4-dioxane 21.77
    methyl acetate 5.17
    THF 36.74
    2-butanone 10.49
    n-pentanol 6.57
    sec-butanol 4.04
    n-hexane 1.25
    ethylene glycol 0.24
    NMP 19.35
    cyclohexane 1.31
    DMSO 3.8
    n-butyl acetate 13.46
    n-octanol 7.78
    chloroform 22.88
    n-propyl acetate 7.77
    acetic acid 2.4
    dichloromethane 11.02
    cyclohexanone 18.95
    propylene glycol 0.68
    isopropyl acetate 12.47
    DMAc 21.45
    2-ethoxyethanol 8.29
    isopentanol 8.62
    n-heptane 1.62
    ethyl formate 2.47
    1,2-dichloroethane 7.69
    n-hexanol 9.68
    2-methoxyethanol 7.98
    isobutyl acetate 10.32
    tetrachloromethane 4.9
    n-pentyl acetate 18.98
    transcutol 43.97
    n-heptanol 11.47
    ethylbenzene 10.66
    MIBK 14.21
    2-propoxyethanol 23.6
    tert-butanol 4.33
    MTBE 10.02
    2-butoxyethanol 24.05
    propionic acid 2.92
    o-xylene 11.69
    formic acid 0.57
    diethyl ether 11.74
    m-xylene 17.12
    p-xylene 10.55
    chlorobenzene 13.33
    dimethyl carbonate 5.12
    n-octane 0.56
    formamide 1.0
    cyclopentanone 20.5
    2-pentanone 13.21
    anisole 21.05
    cyclopentyl methyl ether 20.87
    gamma-butyrolactone 13.62
    1-methoxy-2-propanol 12.86
    pyridine 21.99
    3-pentanone 11.58
    furfural 13.08
    n-dodecane 0.25
    diethylene glycol 5.93
    diisopropyl ether 6.8
    tert-amyl alcohol 4.65
    acetylacetone 14.57
    n-hexadecane 0.33
    acetophenone 15.64
    methyl propionate 9.63
    isopentyl acetate 19.19
    trichloroethylene 20.29
    n-nonanol 9.96
    cyclohexanol 6.37
    benzyl alcohol 10.48
    2-ethylhexanol 8.98
    isooctanol 11.58
    dipropyl ether 15.59
    1,2-dichlorobenzene 13.09
    ethyl lactate 4.53
    propylene carbonate 7.91
    n-methylformamide 2.67
    2-pentanol 6.01
    n-pentane 1.35
    1-propoxy-2-propanol 23.69
    1-methoxy-2-propyl acetate 28.39
    2-(2-methoxypropoxy) propanol 22.24
    mesitylene 10.13
    ε-caprolactone 17.49
    p-cymene 9.46
    epichlorohydrin 17.57
    1,1,1-trichloroethane 10.88
    2-aminoethanol 1.19
    morpholine-4-carbaldehyde 28.09
    sulfolane 13.4
    2,2,4-trimethylpentane 1.1
    2-methyltetrahydrofuran 16.89
    n-hexyl acetate 20.19
    isooctane 1.24
    2-(2-butoxyethoxy)ethanol 28.68
    sec-butyl acetate 9.08
    tert-butyl acetate 17.25
    decalin 1.59
    glycerin 1.37
    diglyme 46.97
    acrylic acid 2.24
    isopropyl myristate 8.4
    n-butyric acid 7.0
    acetyl acetate 7.33
    di(2-ethylhexyl) phthalate 10.8
    ethyl propionate 8.79
    nitromethane 4.12
    1,2-diethoxyethane 19.09
    benzonitrile 8.54
    trioctyl phosphate 7.13
    1-bromopropane 7.26
    gamma-valerolactone 32.95
    n-decanol 5.89
    triethyl phosphate 8.46
    4-methyl-2-pentanol 6.82
    propionitrile 3.79
    vinylene carbonate 8.26
    1,1,2-trichlorotrifluoroethane 10.67
    DMS 12.14
    cumene 8.1
    2-octanol 6.75
    2-hexanone 10.38
    octyl acetate 9.64
    limonene 9.41
    1,2-dimethoxyethane 18.1
    ethyl orthosilicate 10.62
    tributyl phosphate 6.35
    diacetone alcohol 14.08
    N,N-dimethylaniline 18.65
    acrylonitrile 3.37
    aniline 13.52
    1,3-propanediol 3.3
    bromobenzene 16.49
    dibromomethane 8.66
    1,1,2,2-tetrachloroethane 16.55
    2-methyl-cyclohexyl acetate 15.4
    tetrabutyl urea 9.89
    diisobutyl methanol 7.94
    2-phenylethanol 16.79
    styrene 10.62
    dioctyl adipate 12.01
    dimethyl sulfate 7.03
    ethyl butyrate 12.52
    methyl lactate 4.42
    butyl lactate 14.31
    diethyl carbonate 7.39
    propanediol butyl ether 13.71
    triethyl orthoformate 15.73
    p-tert-butyltoluene 10.14
    methyl 4-tert-butylbenzoate 27.18
    morpholine 23.32
    tert-butylamine 3.86
    n-dodecanol 3.48
    dimethoxymethane 17.15
    ethylene carbonate 6.93
    cyrene 16.86
    2-ethoxyethyl acetate 25.86
    2-ethylhexyl acetate 16.81
    1,2,4-trichlorobenzene 17.76
    4-methylpyridine 21.6
    dibutyl ether 8.28
    2,6-dimethyl-4-heptanol 7.94
    DEF 14.24
    dimethyl isosorbide 37.71
    tetrachloroethylene 10.8
    eugenol 25.65
    triacetin 18.74
    span 80 18.95
    1,4-butanediol 1.39
    1,1-dichloroethane 7.92
    2-methyl-1-pentanol 7.45
    methyl formate 1.95
    2-methyl-1-butanol 7.53
    n-decane 0.8
    butyronitrile 5.16
    3,7-dimethyl-1-octanol 8.9
    1-chlorooctane 4.24
    1-chlorotetradecane 1.11
    n-nonane 0.66
    undecane 0.42
    tert-butylcyclohexane 1.78
    cyclooctane 0.94
    cyclopentanol 4.95
    tetrahydropyran 20.09
    tert-amyl methyl ether 9.16
    2,5,8-trioxanonane 29.82
    1-hexene 4.23
    2-isopropoxyethanol 8.79
    2,2,2-trifluoroethanol 1.32
    methyl butyrate 8.86

    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