Betulalbuside A

Overview IFRA Request a quote

  • Identifiers

    CAS number
    64776-96-1

    Molecular formula
    C16H28O7

    SMILES
    C/C(=C\CC[C@](C)(C=C)O)/CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 46.34%
    Odorless 40.01%
    Fresh 27.37%
    Floral 27.06%
    Woody 26.9%
    Mint 25.28%
    Cooling 23.63%
    Citrus 23.1%
    Spicy 22.57%
    Warm 19.81%

     

    Flavor
    Bitter 47.95%
    Sweet 29.62%
    Herbal 28.7%
    Green 27.57%
    Floral 25.01%
    Odorless 23.39%
    Mild 22.63%
    Minty 22.42%
    Tropical 21.64%
    Fruity 21.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.3

    pKa est.
    7.33 (neutral)

    Molecular weight
    332.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1056°C

    Flash point

    • 211.52 ˚C est.

  • Synonyms

    • Betulalbuside A
    • 64776-96-1
    • DTXSID801317098
    • (2R,3R,4S,5S,6R)-2-[(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    • (2R,3R,4S,5S,6R)-2-((2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
    • RefChem:1079732
    • DTXCID701746915
    • (6E)-3,7-Dimethyl-8-(beta-D-glucopyranosyloxy)-1,6-octadiene-3-ol
    • Betulalbusides A
    • CHEMBL1779145
    • AKOS040734592
    • (2E,6R)-6-Hydroxy-2,6-dimethylocta-2,7-dien-1-yl beta-D-glucopyranoside
    • 64776-96-1

  • Applications

    Betulalbuside A (CAS 64776-96-1) is a natural compound that is studied as a versatile building block and ingredient for several industries. In perfumery and fragrance, it may be evaluated as a fragrance precursor or aroma-contributing component. In flavor applications, it may serve as a precursor for aroma generation after processing. In cosmetics and personal care, it is being explored as a botanical ingredient for natural formulations. In household products, it could be included in fragrance-containing cleaners and detergents. In pharmaceutical or life-science research, Betulalbuside A has been investigated as a natural product lead compound with potential biological activity, though this remains exploratory and would be subject to regulatory and formulation considerations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 64.15
    methanol 270.21
    isopropanol 21.86
    water 35.89
    ethyl acetate 17.41
    n-propanol 35.49
    acetone 27.29
    n-butanol 59.19
    acetonitrile 10.65
    DMF 183.24
    toluene 4.4
    isobutanol 14.72
    1,4-dioxane 53.13
    methyl acetate 9.62
    THF 89.86
    2-butanone 14.22
    n-pentanol 14.72
    sec-butanol 18.61
    n-hexane 0.44
    ethylene glycol 103.89
    NMP 99.85
    cyclohexane 2.97
    DMSO 571.85
    n-butyl acetate 2.57
    n-octanol 8.28
    chloroform 3.99
    n-propyl acetate 3.8
    acetic acid 190.03
    dichloromethane 4.01
    cyclohexanone 31.5
    propylene glycol 85.14
    isopropyl acetate 9.73
    DMAc 188.76
    2-ethoxyethanol 124.65
    isopentanol 27.28
    n-heptane 1.29
    ethyl formate 14.62
    1,2-dichloroethane 4.92
    n-hexanol 10.07
    2-methoxyethanol 353.08
    isobutyl acetate 2.3
    tetrachloromethane 1.26
    n-pentyl acetate 4.82
    transcutol 187.09
    n-heptanol 10.52
    ethylbenzene 1.88
    MIBK 13.95
    2-propoxyethanol 56.71
    tert-butanol 21.89
    MTBE 6.66
    2-butoxyethanol 36.55
    propionic acid 31.84
    o-xylene 4.61
    formic acid 397.12
    diethyl ether 13.35
    m-xylene 4.38
    p-xylene 1.85
    chlorobenzene 1.78
    dimethyl carbonate 18.46
    n-octane 0.76
    formamide 327.59
    cyclopentanone 41.52
    2-pentanone 25.0
    anisole 6.68
    cyclopentyl methyl ether 30.07
    gamma-butyrolactone 45.02
    1-methoxy-2-propanol 183.05
    pyridine 15.97
    3-pentanone 13.5
    furfural 43.8
    n-dodecane 0.4
    diethylene glycol 109.54
    diisopropyl ether 3.1
    tert-amyl alcohol 18.72
    acetylacetone 39.89
    n-hexadecane 0.46
    acetophenone 10.54
    methyl propionate 21.23
    isopentyl acetate 3.5
    trichloroethylene 8.88
    n-nonanol 8.43
    cyclohexanol 32.59
    benzyl alcohol 15.82
    2-ethylhexanol 4.82
    isooctanol 7.83
    dipropyl ether 5.65
    1,2-dichlorobenzene 2.08
    ethyl lactate 13.91
    propylene carbonate 15.79
    n-methylformamide 92.61
    2-pentanol 23.55
    n-pentane 1.15
    1-propoxy-2-propanol 27.0
    1-methoxy-2-propyl acetate 14.78
    2-(2-methoxypropoxy) propanol 35.91
    mesitylene 2.95
    ε-caprolactone 28.23
    p-cymene 1.8
    epichlorohydrin 38.56
    1,1,1-trichloroethane 2.21
    2-aminoethanol 127.49
    morpholine-4-carbaldehyde 132.75
    sulfolane 105.16
    2,2,4-trimethylpentane 0.54
    2-methyltetrahydrofuran 26.55
    n-hexyl acetate 7.54
    isooctane 0.37
    2-(2-butoxyethoxy)ethanol 56.53
    sec-butyl acetate 3.3
    tert-butyl acetate 11.43
    decalin 0.66
    glycerin 209.17
    diglyme 92.19
    acrylic acid 43.58
    isopropyl myristate 3.18
    n-butyric acid 53.43
    acetyl acetate 12.51
    di(2-ethylhexyl) phthalate 6.33
    ethyl propionate 5.82
    nitromethane 122.0
    1,2-diethoxyethane 14.65
    benzonitrile 4.55
    trioctyl phosphate 4.7
    1-bromopropane 2.38
    gamma-valerolactone 94.27
    n-decanol 5.84
    triethyl phosphate 4.64
    4-methyl-2-pentanol 9.4
    propionitrile 5.66
    vinylene carbonate 15.19
    1,1,2-trichlorotrifluoroethane 73.93
    DMS 7.82
    cumene 1.39
    2-octanol 5.1
    2-hexanone 5.28
    octyl acetate 4.99
    limonene 3.28
    1,2-dimethoxyethane 71.4
    ethyl orthosilicate 4.87
    tributyl phosphate 4.21
    diacetone alcohol 48.61
    N,N-dimethylaniline 7.72
    acrylonitrile 9.61
    aniline 12.22
    1,3-propanediol 196.32
    bromobenzene 1.27
    dibromomethane 2.49
    1,1,2,2-tetrachloroethane 8.94
    2-methyl-cyclohexyl acetate 5.47
    tetrabutyl urea 8.11
    diisobutyl methanol 3.71
    2-phenylethanol 9.08
    styrene 1.79
    dioctyl adipate 7.12
    dimethyl sulfate 37.5
    ethyl butyrate 3.94
    methyl lactate 46.83
    butyl lactate 11.25
    diethyl carbonate 2.59
    propanediol butyl ether 45.14
    triethyl orthoformate 5.39
    p-tert-butyltoluene 2.03
    methyl 4-tert-butylbenzoate 18.01
    morpholine 87.24
    tert-butylamine 6.45
    n-dodecanol 4.14
    dimethoxymethane 102.72
    ethylene carbonate 12.37
    cyrene 46.05
    2-ethoxyethyl acetate 10.43
    2-ethylhexyl acetate 2.33
    1,2,4-trichlorobenzene 3.29
    4-methylpyridine 10.6
    dibutyl ether 4.27
    2,6-dimethyl-4-heptanol 3.71
    DEF 51.25
    dimethyl isosorbide 43.96
    tetrachloroethylene 7.55
    eugenol 20.17
    triacetin 16.43
    span 80 29.45
    1,4-butanediol 46.74
    1,1-dichloroethane 2.08
    2-methyl-1-pentanol 10.49
    methyl formate 55.44
    2-methyl-1-butanol 23.2
    n-decane 0.83
    butyronitrile 9.12
    3,7-dimethyl-1-octanol 6.63
    1-chlorooctane 2.11
    1-chlorotetradecane 0.9
    n-nonane 0.8
    undecane 0.55
    tert-butylcyclohexane 0.39
    cyclooctane 1.62
    cyclopentanol 29.5
    tetrahydropyran 26.25
    tert-amyl methyl ether 9.16
    2,5,8-trioxanonane 75.69
    1-hexene 1.11
    2-isopropoxyethanol 43.67
    2,2,2-trifluoroethanol 56.29
    methyl butyrate 7.8

    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