Semiaquilinoside

Overview IFRA Request a quote

  • Identifiers

    CAS number
    64271-11-0

    Molecular formula
    C28H32O14

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)OC)O)CO)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 71.19%
    Vanilla 36.62%
    Sweet 35.31%
    Phenolic 25.07%
    Milky 22.89%
    Creamy 20.8%
    Bitter 20.41%
    Savory 19.43%
    Smoky 19.11%
    Caramellic 18.35%

     

    Flavor
    Bitter 76.02%
    Odorless 32.42%
    Bland 30.41%
    Sweet-like 27.33%
    Cedarleaf 20.5%
    Parsley 19.5%
    Very slight 19.38%
    Eugenol 19.35%
    Naphthalic 19.29%
    Lovage 19.22%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    5.94 (weak acid)

    Molecular weight
    592.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5539°C

    Flash point

    • 293.6 ˚C est.

  • Synonyms

    • 64271-11-0
    • Semiaquilinoside
    • 6-(4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl)-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
    • 6-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one
    • RefChem:182341
    • Isomargaritene
    • 4H-1-Benzopyran-4-one, 6-[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]-5,7-dihydroxy-2-(4-methoxyphenyl)-
    • orb1680345
    • DTXSID901316629
    • AKOS040763440
    • FS-8388
    • (1S)-1,5-Anhydro-2-O-(6-deoxy-alpha-L-mannopyranosyl)-1-[5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-6-yl]-D-glucitol
    • 64271-11-0

  • Applications

    Semiaquilinoside (CAS 64271-11-0) is viewed as a building block in organic synthesis and is commonly evaluated for use as an intermediate in pharmaceutical and agrochemical development, while also serving as a fragrance and flavor precursor in aroma chemistry; in cosmetics and personal care, it may function as a synthesis intermediate or formulation component and can act as a base or supporting compound in skin care systems; in the polymers/plastics sector, it may provide a sugar-based building block for bio-based polymers or resin systems; in household cleaning formulations, it could be explored as an odorant precursor or functional additive related to scent complexes, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.3
    methanol 3.7
    isopropanol 0.1
    water 0.04
    ethyl acetate 0.02
    n-propanol 0.33
    acetone 0.12
    n-butanol 0.14
    acetonitrile 0.03
    DMF 6.0
    toluene 0.01
    isobutanol 0.09
    1,4-dioxane 0.81
    methyl acetate 0.08
    THF 0.87
    2-butanone 0.14
    n-pentanol 0.08
    sec-butanol 0.11
    n-hexane 0.0
    ethylene glycol 3.45
    NMP 7.06
    cyclohexane 0.0
    DMSO 8.02
    n-butyl acetate 0.02
    n-octanol 0.06
    chloroform 0.02
    n-propyl acetate 0.02
    acetic acid 1.65
    dichloromethane 0.03
    cyclohexanone 0.24
    propylene glycol 4.17
    isopropyl acetate 0.01
    DMAc 4.89
    2-ethoxyethanol 1.83
    isopentanol 0.06
    n-heptane 0.0
    ethyl formate 0.09
    1,2-dichloroethane 0.03
    n-hexanol 0.03
    2-methoxyethanol 7.97
    isobutyl acetate 0.01
    tetrachloromethane 0.0
    n-pentyl acetate 0.05
    transcutol 3.38
    n-heptanol 0.08
    ethylbenzene 0.0
    MIBK 0.02
    2-propoxyethanol 0.97
    tert-butanol 0.04
    MTBE 0.02
    2-butoxyethanol 1.04
    propionic acid 0.42
    o-xylene 0.01
    formic acid 8.04
    diethyl ether 0.03
    m-xylene 0.01
    p-xylene 0.0
    chlorobenzene 0.0
    dimethyl carbonate 0.16
    n-octane 0.0
    formamide 4.64
    cyclopentanone 0.49
    2-pentanone 0.06
    anisole 0.02
    cyclopentyl methyl ether 0.07
    gamma-butyrolactone 0.66
    1-methoxy-2-propanol 2.47
    pyridine 0.2
    3-pentanone 0.05
    furfural 0.99
    n-dodecane 0.0
    diethylene glycol 2.65
    diisopropyl ether 0.0
    tert-amyl alcohol 0.06
    acetylacetone 0.1
    n-hexadecane 0.0
    acetophenone 0.04
    methyl propionate 0.09
    isopentyl acetate 0.01
    trichloroethylene 0.06
    n-nonanol 0.07
    cyclohexanol 0.07
    benzyl alcohol 0.08
    2-ethylhexanol 0.01
    isooctanol 0.04
    dipropyl ether 0.03
    1,2-dichlorobenzene 0.0
    ethyl lactate 0.14
    propylene carbonate 0.13
    n-methylformamide 2.26
    2-pentanol 0.04
    n-pentane 0.0
    1-propoxy-2-propanol 0.41
    1-methoxy-2-propyl acetate 0.1
    2-(2-methoxypropoxy) propanol 0.79
    mesitylene 0.0
    ε-caprolactone 0.26
    p-cymene 0.0
    epichlorohydrin 0.53
    1,1,1-trichloroethane 0.0
    2-aminoethanol 3.22
    morpholine-4-carbaldehyde 7.23
    sulfolane 3.47
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.14
    n-hexyl acetate 0.07
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.34
    sec-butyl acetate 0.01
    tert-butyl acetate 0.02
    decalin 0.0
    glycerin 15.39
    diglyme 2.38
    acrylic acid 0.99
    isopropyl myristate 0.01
    n-butyric acid 0.19
    acetyl acetate 0.02
    di(2-ethylhexyl) phthalate 0.06
    ethyl propionate 0.02
    nitromethane 1.35
    1,2-diethoxyethane 0.11
    benzonitrile 0.02
    trioctyl phosphate 0.04
    1-bromopropane 0.01
    gamma-valerolactone 3.54
    n-decanol 0.04
    triethyl phosphate 0.02
    4-methyl-2-pentanol 0.01
    propionitrile 0.03
    vinylene carbonate 0.16
    1,1,2-trichlorotrifluoroethane 3.01
    DMS 0.07
    cumene 0.0
    2-octanol 0.03
    2-hexanone 0.04
    octyl acetate 0.04
    limonene 0.01
    1,2-dimethoxyethane 1.06
    ethyl orthosilicate 0.02
    tributyl phosphate 0.03
    diacetone alcohol 0.2
    N,N-dimethylaniline 0.02
    acrylonitrile 0.08
    aniline 0.05
    1,3-propanediol 2.33
    bromobenzene 0.0
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.06
    2-methyl-cyclohexyl acetate 0.02
    tetrabutyl urea 0.08
    diisobutyl methanol 0.01
    2-phenylethanol 0.04
    styrene 0.0
    dioctyl adipate 0.06
    dimethyl sulfate 0.6
    ethyl butyrate 0.02
    methyl lactate 0.9
    butyl lactate 0.23
    diethyl carbonate 0.01
    propanediol butyl ether 1.7
    triethyl orthoformate 0.04
    p-tert-butyltoluene 0.0
    methyl 4-tert-butylbenzoate 0.15
    morpholine 1.62
    tert-butylamine 0.01
    n-dodecanol 0.02
    dimethoxymethane 1.28
    ethylene carbonate 0.09
    cyrene 1.39
    2-ethoxyethyl acetate 0.17
    2-ethylhexyl acetate 0.01
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.06
    dibutyl ether 0.02
    2,6-dimethyl-4-heptanol 0.01
    DEF 0.24
    dimethyl isosorbide 0.7
    tetrachloroethylene 0.04
    eugenol 0.26
    triacetin 0.21
    span 80 0.8
    1,4-butanediol 0.61
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.04
    methyl formate 1.25
    2-methyl-1-butanol 0.08
    n-decane 0.0
    butyronitrile 0.02
    3,7-dimethyl-1-octanol 0.02
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.17
    tetrahydropyran 0.13
    tert-amyl methyl ether 0.02
    2,5,8-trioxanonane 1.61
    1-hexene 0.0
    2-isopropoxyethanol 0.4
    2,2,2-trifluoroethanol 0.65
    methyl butyrate 0.04

    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