Betulin

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  • Identifiers

    CAS number
    473-98-3

    Molecular formula
    C30H50O2

    SMILES
    CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)CO

    Safety labels

  • Odor profile

    Fragrance
    Woody 87.72%
    Sandalwood 55.36%
    Amber 52.66%
    Sweet 49.6%
    Dry 47.4%
    Cedar 44.61%
    Balsamic 42.81%
    Musk 37.82%
    Vetiver 36.52%
    Clean 35.33%

     

    Flavor
    Woody 72.31%
    Sweet 57.92%
    Balsam 46.76%
    Pine 46.29%
    Camphor 42.19%
    Earthy 42.12%
    Herbal 39.84%
    Wood 37.36%
    Dry 36.55%
    Spicy 35.67%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.3

    pKa est.
    7.63 (neutral)

    Molecular weight
    442.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • 251 - 252 °C

    Boiling point

    • 284.00 to 288.00 °C. @ 743.00 mm Hg

    Flash point

    • 237.89 ˚C est.

  • Synonyms

    • Betulin
    • 473-98-3
    • Betulinol
    • Trochol
    • Betuline
    • Betulol
    • Betulinic alcohol
    • (+)-betulin
    • Lup-20(30)-ene-3beta,28-diol
    • NSC-4644
    • 6W70HN7X7O
    • ORISTRACT BTL
    • CP BETULIN
    • Lup-20(29)-ene-3,28-diol, (3beta)-
    • lup-20(29)-ene-3 beta,28-diol
    • CHEBI:3086
    • DTXSID101019934
    • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
    • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta(a)chrysen-9-ol
    • RefChem:568020
    • DTXCID801477793
    • lup-20(29)-ene-3,28-diol, 3,28-diacetate, (3 beta)-
    • 207-475-5
    • Lup-20(29)-ene-3b,28-diol
    • MFCD00016802
    • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(Hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol
    • NSC 4644
    • (3beta)-lup-20(29)-ene-3,28-diol
    • Lup-20(29)-ene-3,28-diol, (3.beta.)-
    • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
    • (1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymethyl)-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-17-ol
    • SR-05000002167
    • EINECS 207-475-5
    • NSC4644
    • UNII-6W70HN7X7O
    • Botulin
    • AI3-62999
    • NSC692218
    • Lup-20(29)-ene-3.beta.,28-diol
    • Lup-20(30)-ene-3.beta.,28-diol
    • Betulin (Standard)
    • Betulinol (obsol.)
    • Betulin, 23
    • Betulin, >=98%
    • BETULIN [MI]
    • Prestwick3_000990
    • Betulin, analytical standard
    • BSPBio_001059
    • CHEMBL23236
    • SCHEMBL131739
    • BPBio1_001165
    • MEGxp0_001726
    • orb1304514
    • ACon1_000091
    • BDBM23207
    • HY-N0083R
    • WLZ4627
    • HMS2098E21
    • 7372-31-8
    • EX-A3354
    • HY-N0083
    • MSK000520
    • s4754
    • SBB080743
    • Lup-20(29)-ene-3 ,28-diol
    • AKOS005267212
    • Lup-20(29)-ene-3beta ,28-diol
    • Lup-20(30)-ene-3beta ,28-diol
    • CCG-208619
    • CS-6156
    • EBC-615459
    • FB29605
    • GS-3254
    • LMPR0106140005
    • NSC-692218
    • NCGC00168803-01
    • NCGC00168803-02
    • NCGC00168803-04
    • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-icosahydro-1H-cyclopenta[a]chrysen-9-ol
    • SY038977
    • AB00513988
    • B0803
    • NS00018049
    • (3.beta.)-Lup-20(29)-ene-3,28-diol
    • C08618
    • Lup-20(29)-ene-3,28-diol, (3beta )-
    • 473B983
    • F547257
    • Q419726
    • SR-05000002167-2
    • SR-05000002167-3
    • BRD-K64874225-001-01-3
    • BRD-K64874225-001-04-7
    • (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3 a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-ol
    • (1R,3AS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(Hydroxymethyl)-5a,5b,8,8,1 1a-pentamethyl-1-(prop-1-en-2-y l)icosahydro-1H-cyclopenta[a]chrysen-9-ol
    • (5S,17S,1R,2R,8R,9R,10R,13R,14R,19R)-5-(hydroxymethyl)-1,2,14,18,18-pentamethy l-8-(1-methylvinyl)pentacyclo[11.8.0.0<2,10>.0<5,9>.0<14,19>]henicosan-17-ol
    • 473-98-3

  • Applications

    Betulin (CAS 473-98-3) is a pentacyclic triterpene obtained from birch bark with practical applications across several industries. In cosmetics and personal care, it is regarded as an emollient ingredient and skin-conditioning agent, and it can serve as a precursor for the synthesis of triterpenoid derivatives. In pharmaceutical research, betulin is an important starting material for the synthesis of betulinic acid and other derivatives used in medicinal chemistry. It is also explored as a natural antioxidant and stabilizer in formulations and in polymer/biodegradable material contexts. Additionally, betulin and its derivatives have been investigated for antimicrobial properties with potential applications in coatings and packaging under appropriate regulatory frameworks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.76
    methanol 3.31
    isopropanol 5.03
    water 0.06
    ethyl acetate 6.25
    n-propanol 7.14
    acetone 6.7
    n-butanol 8.37
    acetonitrile 2.97
    DMF 18.48
    toluene 8.4
    isobutanol 4.88
    1,4-dioxane 16.18
    methyl acetate 3.71
    THF 40.82
    2-butanone 6.41
    n-pentanol 4.41
    sec-butanol 2.44
    n-hexane 0.21
    ethylene glycol 0.79
    NMP 17.67
    cyclohexane 0.22
    DMSO 7.49
    n-butyl acetate 6.46
    n-octanol 4.03
    chloroform 17.51
    n-propyl acetate 4.29
    acetic acid 5.26
    dichloromethane 8.34
    cyclohexanone 12.0
    propylene glycol 1.63
    isopropyl acetate 7.68
    DMAc 16.59
    2-ethoxyethanol 9.5
    isopentanol 6.77
    n-heptane 0.29
    ethyl formate 2.31
    1,2-dichloroethane 4.96
    n-hexanol 5.06
    2-methoxyethanol 14.34
    isobutyl acetate 5.28
    tetrachloromethane 2.97
    n-pentyl acetate 10.57
    transcutol 34.99
    n-heptanol 7.38
    ethylbenzene 3.22
    MIBK 8.65
    2-propoxyethanol 25.47
    tert-butanol 4.6
    MTBE 3.9
    2-butoxyethanol 22.83
    propionic acid 3.7
    o-xylene 3.92
    formic acid 1.87
    diethyl ether 5.12
    m-xylene 6.79
    p-xylene 3.45
    chlorobenzene 8.02
    dimethyl carbonate 5.77
    n-octane 0.11
    formamide 2.9
    cyclopentanone 17.67
    2-pentanone 8.35
    anisole 10.85
    cyclopentyl methyl ether 10.85
    gamma-butyrolactone 15.38
    1-methoxy-2-propanol 20.3
    pyridine 16.95
    3-pentanone 5.53
    furfural 15.38
    n-dodecane 0.05
    diethylene glycol 11.31
    diisopropyl ether 2.0
    tert-amyl alcohol 2.45
    acetylacetone 12.92
    n-hexadecane 0.06
    acetophenone 9.77
    methyl propionate 6.82
    isopentyl acetate 9.45
    trichloroethylene 15.88
    n-nonanol 4.88
    cyclohexanol 3.73
    benzyl alcohol 8.58
    2-ethylhexanol 3.56
    isooctanol 6.67
    dipropyl ether 5.23
    1,2-dichlorobenzene 7.87
    ethyl lactate 4.24
    propylene carbonate 7.93
    n-methylformamide 5.28
    2-pentanol 3.61
    n-pentane 0.25
    1-propoxy-2-propanol 20.48
    1-methoxy-2-propyl acetate 19.44
    2-(2-methoxypropoxy) propanol 14.9
    mesitylene 3.54
    ε-caprolactone 11.33
    p-cymene 3.07
    epichlorohydrin 17.31
    1,1,1-trichloroethane 5.9
    2-aminoethanol 3.09
    morpholine-4-carbaldehyde 24.74
    sulfolane 17.62
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 9.51
    n-hexyl acetate 10.13
    isooctane 0.27
    2-(2-butoxyethoxy)ethanol 21.06
    sec-butyl acetate 4.15
    tert-butyl acetate 10.66
    decalin 0.27
    glycerin 3.73
    diglyme 35.76
    acrylic acid 3.74
    isopropyl myristate 3.05
    n-butyric acid 8.2
    acetyl acetate 6.37
    di(2-ethylhexyl) phthalate 6.61
    ethyl propionate 4.93
    nitromethane 8.06
    1,2-diethoxyethane 8.6
    benzonitrile 6.69
    trioctyl phosphate 3.95
    1-bromopropane 2.56
    gamma-valerolactone 32.26
    n-decanol 2.4
    triethyl phosphate 4.51
    4-methyl-2-pentanol 3.81
    propionitrile 4.07
    vinylene carbonate 9.02
    1,1,2-trichlorotrifluoroethane 14.04
    DMS 7.84
    cumene 2.32
    2-octanol 3.37
    2-hexanone 4.93
    octyl acetate 4.21
    limonene 2.87
    1,2-dimethoxyethane 14.82
    ethyl orthosilicate 5.23
    tributyl phosphate 3.22
    diacetone alcohol 12.69
    N,N-dimethylaniline 8.03
    acrylonitrile 5.02
    aniline 9.12
    1,3-propanediol 7.16
    bromobenzene 8.31
    dibromomethane 5.28
    1,1,2,2-tetrachloroethane 11.69
    2-methyl-cyclohexyl acetate 7.48
    tetrabutyl urea 4.89
    diisobutyl methanol 3.18
    2-phenylethanol 12.05
    styrene 3.61
    dioctyl adipate 6.21
    dimethyl sulfate 9.31
    ethyl butyrate 6.16
    methyl lactate 6.42
    butyl lactate 11.51
    diethyl carbonate 3.94
    propanediol butyl ether 14.78
    triethyl orthoformate 7.58
    p-tert-butyltoluene 3.45
    methyl 4-tert-butylbenzoate 19.38
    morpholine 18.31
    tert-butylamine 2.34
    n-dodecanol 1.15
    dimethoxymethane 21.93
    ethylene carbonate 7.0
    cyrene 15.71
    2-ethoxyethyl acetate 16.63
    2-ethylhexyl acetate 6.63
    1,2,4-trichlorobenzene 11.0
    4-methylpyridine 13.93
    dibutyl ether 2.34
    2,6-dimethyl-4-heptanol 3.18
    DEF 8.14
    dimethyl isosorbide 27.23
    tetrachloroethylene 8.56
    eugenol 19.49
    triacetin 12.72
    span 80 13.29
    1,4-butanediol 2.47
    1,1-dichloroethane 4.52
    2-methyl-1-pentanol 3.85
    methyl formate 3.38
    2-methyl-1-butanol 4.68
    n-decane 0.15
    butyronitrile 4.59
    3,7-dimethyl-1-octanol 3.85
    1-chlorooctane 1.11
    1-chlorotetradecane 0.22
    n-nonane 0.13
    undecane 0.08
    tert-butylcyclohexane 0.32
    cyclooctane 0.15
    cyclopentanol 4.16
    tetrahydropyran 9.44
    tert-amyl methyl ether 2.92
    2,5,8-trioxanonane 20.65
    1-hexene 0.9
    2-isopropoxyethanol 7.64
    2,2,2-trifluoroethanol 2.98
    methyl butyrate 5.17

    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