Benzyl beta-primeveroside

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  • Identifiers

    CAS number
    130622-31-0

    Molecular formula
    C18H26O10

    SMILES
    C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCC3=CC=CC=C3)O)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 57.1%
    Odorless 55.19%
    Vanilla 26.3%
    Woody 23.27%
    Bitter 22.8%
    Caramellic 22.04%
    Balsamic 19.83%
    Alcoholic 19.46%
    Spicy 17.93%
    Powdery 17.71%

     

    Flavor
    Sweet 65.05%
    Bitter 56.92%
    Odorless 37.6%
    Sweet-like 29.51%
    Fatty 27.86%
    Cauliflower 21.89%
    Naphthalic 21.58%
    Very slight 21.21%
    Alkaline 20.72%
    Soup 20.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -2.8

    pKa est.
    5.06 (weak acid)

    Molecular weight
    402.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2646°C

    Flash point

    • 234.44 ˚C est.

  • Synonyms

    • Benzyl beta-primeveroside
    • BAXGP
    • 130622-31-0
    • Benzyl alcohol xylopyranosyl-(1-6)-glucopyranoside
    • Benzyl 6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside
    • (2R,3R,4S,5S,6R)-2-phenylmethoxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
    • CHEBI:136548
    • DTXSID90156646
    • Phenylmethyl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
    • (2R,3R,4S,5S,6R)-2-phenylmethoxy-6-(((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxymethyl)oxane-3,4,5-triol
    • RefChem:118857
    • DTXCID5079137
    • benzyl 6-O-beta-d-xylopyranosyl-beta-d-glucopyranoside
    • (2R,3R,4S,5S,6R)-2-(Benzyloxy)-6-((((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3,4,5-triol
    • orb1990825
    • SCHEMBL12470949
    • AKOS040736021
    • beta-D-Xyl-(1->6)-beta-D-Glc-OBn
    • benzyl beta-D-xylosyl-(1->6)-beta-D-glucoside
    • benzyl alcohol xylopyranosyl-(1->6)-glucopyranoside
    • benzyl beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranoside
    • benzyl alcohol 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
    • beta-D-Glucopyranoside, phenylmethyl 6-O-beta-D-xylopyranosyl-
    • Benzyl alcohol beta-D-xylopyranosyl (1-6)-beta-D-glucopyranoside
    • 130622-31-0

  • Applications

    Benzyl beta-primeveroside (CAS 130622-31-0) is a glycoside-type benzyl compound often regarded as an aroma precursor. In perfumery and cosmetics/personal care, it is evaluated as a fragrance ingredient or precursor that can release benzyl alcohol upon hydrolysis, enabling potential odor release in formulations. In the flavor industry, it may be used as an aroma precursor or intermediate for flavor formulations, subject to regulatory compliance. In household and cleaning products, it can serve as a fragrance additive or release component. In industrial manufacturing, it may function as an intermediate in fragrance chemistry or as a source of the benzyl moiety in synthesis routes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.48
    methanol 13.69
    isopropanol 1.17
    water 35.78
    ethyl acetate 0.64
    n-propanol 1.72
    acetone 1.48
    n-butanol 2.41
    acetonitrile 0.83
    DMF 28.44
    toluene 0.45
    isobutanol 0.64
    1,4-dioxane 3.02
    methyl acetate 0.48
    THF 4.32
    2-butanone 0.77
    n-pentanol 0.61
    sec-butanol 0.94
    n-hexane 0.03
    ethylene glycol 22.9
    NMP 23.93
    cyclohexane 0.21
    DMSO 130.45
    n-butyl acetate 0.17
    n-octanol 0.89
    chloroform 0.18
    n-propyl acetate 0.17
    acetic acid 18.54
    dichloromethane 0.21
    cyclohexanone 2.05
    propylene glycol 11.53
    isopropyl acetate 0.47
    DMAc 26.3
    2-ethoxyethanol 10.83
    isopentanol 1.1
    n-heptane 0.19
    ethyl formate 0.78
    1,2-dichloroethane 0.3
    n-hexanol 0.63
    2-methoxyethanol 39.87
    isobutyl acetate 0.08
    tetrachloromethane 0.08
    n-pentyl acetate 0.46
    transcutol 24.17
    n-heptanol 1.2
    ethylbenzene 0.15
    MIBK 0.71
    2-propoxyethanol 6.18
    tert-butanol 0.88
    MTBE 0.3
    2-butoxyethanol 5.26
    propionic acid 2.36
    o-xylene 0.49
    formic acid 99.49
    diethyl ether 0.7
    m-xylene 0.41
    p-xylene 0.12
    chlorobenzene 0.11
    dimethyl carbonate 2.7
    n-octane 0.13
    formamide 77.58
    cyclopentanone 3.36
    2-pentanone 1.3
    anisole 0.39
    cyclopentyl methyl ether 2.38
    gamma-butyrolactone 3.87
    1-methoxy-2-propanol 20.69
    pyridine 1.55
    3-pentanone 0.95
    furfural 5.22
    n-dodecane 0.07
    diethylene glycol 18.12
    diisopropyl ether 0.21
    tert-amyl alcohol 0.9
    acetylacetone 2.87
    n-hexadecane 0.07
    acetophenone 0.72
    methyl propionate 1.49
    isopentyl acetate 0.18
    trichloroethylene 0.47
    n-nonanol 0.93
    cyclohexanol 2.23
    benzyl alcohol 1.04
    2-ethylhexanol 0.35
    isooctanol 0.76
    dipropyl ether 0.74
    1,2-dichlorobenzene 0.13
    ethyl lactate 1.43
    propylene carbonate 1.18
    n-methylformamide 12.84
    2-pentanol 1.11
    n-pentane 0.1
    1-propoxy-2-propanol 3.6
    1-methoxy-2-propyl acetate 1.49
    2-(2-methoxypropoxy) propanol 5.04
    mesitylene 0.28
    ε-caprolactone 2.08
    p-cymene 0.2
    epichlorohydrin 2.53
    1,1,1-trichloroethane 0.09
    2-aminoethanol 16.23
    morpholine-4-carbaldehyde 23.56
    sulfolane 18.27
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 1.36
    n-hexyl acetate 0.58
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 8.58
    sec-butyl acetate 0.13
    tert-butyl acetate 0.62
    decalin 0.05
    glycerin 56.26
    diglyme 13.43
    acrylic acid 5.12
    isopropyl myristate 0.27
    n-butyric acid 2.87
    acetyl acetate 0.74
    di(2-ethylhexyl) phthalate 0.54
    ethyl propionate 0.31
    nitromethane 14.74
    1,2-diethoxyethane 1.49
    benzonitrile 0.31
    trioctyl phosphate 0.46
    1-bromopropane 0.15
    gamma-valerolactone 10.5
    n-decanol 0.68
    triethyl phosphate 0.45
    4-methyl-2-pentanol 0.5
    propionitrile 0.39
    vinylene carbonate 1.27
    1,1,2-trichlorotrifluoroethane 10.53
    DMS 0.81
    cumene 0.11
    2-octanol 0.58
    2-hexanone 0.25
    octyl acetate 0.48
    limonene 0.35
    1,2-dimethoxyethane 4.47
    ethyl orthosilicate 0.46
    tributyl phosphate 0.36
    diacetone alcohol 4.1
    N,N-dimethylaniline 0.59
    acrylonitrile 0.89
    aniline 1.27
    1,3-propanediol 21.06
    bromobenzene 0.08
    dibromomethane 0.13
    1,1,2,2-tetrachloroethane 0.56
    2-methyl-cyclohexyl acetate 0.35
    tetrabutyl urea 0.83
    diisobutyl methanol 0.35
    2-phenylethanol 0.8
    styrene 0.13
    dioctyl adipate 0.61
    dimethyl sulfate 7.48
    ethyl butyrate 0.32
    methyl lactate 8.22
    butyl lactate 1.36
    diethyl carbonate 0.22
    propanediol butyl ether 7.07
    triethyl orthoformate 0.56
    p-tert-butyltoluene 0.24
    methyl 4-tert-butylbenzoate 2.35
    morpholine 5.83
    tert-butylamine 0.29
    n-dodecanol 0.48
    dimethoxymethane 11.17
    ethylene carbonate 0.92
    cyrene 7.91
    2-ethoxyethyl acetate 1.22
    2-ethylhexyl acetate 0.14
    1,2,4-trichlorobenzene 0.2
    4-methylpyridine 0.85
    dibutyl ether 0.46
    2,6-dimethyl-4-heptanol 0.35
    DEF 4.64
    dimethyl isosorbide 6.47
    tetrachloroethylene 0.55
    eugenol 2.68
    triacetin 1.96
    span 80 4.58
    1,4-butanediol 4.33
    1,1-dichloroethane 0.1
    2-methyl-1-pentanol 0.4
    methyl formate 6.35
    2-methyl-1-butanol 1.06
    n-decane 0.13
    butyronitrile 0.44
    3,7-dimethyl-1-octanol 0.49
    1-chlorooctane 0.24
    1-chlorotetradecane 0.11
    n-nonane 0.13
    undecane 0.09
    tert-butylcyclohexane 0.03
    cyclooctane 0.17
    cyclopentanol 1.99
    tetrahydropyran 1.39
    tert-amyl methyl ether 0.58
    2,5,8-trioxanonane 11.68
    1-hexene 0.07
    2-isopropoxyethanol 3.25
    2,2,2-trifluoroethanol 9.87
    methyl butyrate 0.38

    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