Sophorose

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  • Identifiers

    CAS number
    534-46-3

    Molecular formula
    C12H22O11

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 74.86%
    Sweet 43.39%
    Caramellic 21.09%
    Alcoholic 19.14%
    Savory 18.03%
    Buttery 16.49%
    Bitter 16.33%
    Milky 16.22%
    Cooling 16.03%
    Clean 15.77%

     

    Flavor
    Odorless 61.65%
    Sweet 54.32%
    Bitter 37.89%
    Sweet-like 33.87%
    Very mild 26.16%
    Bland 24.05%
    Very slight 21.95%
    Cauliflower 20.66%
    Alkaline 19.67%
    Fenugreek 19.55%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -5.0

    pKa est.
    3.98 (weak acid)

    Molecular weight
    342.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2891°C

    Flash point

    • 296.28 ˚C est.

  • Synonyms

    • 2-O-beta-D-Glucopyranosyl-D-glucose
    • 534-46-3
    • ZHQ3C30OP1
    • CHEBI:1230
    • DTXSID301336223
    • RefChem:184372
    • GlyTouCan:G11201LB
    • DTXCID901766363
    • G11201LB
    • 208-600-6
    • beta-D-glucopyranosyl-(1->2)-D-glucopyranose
    • Sophorose
    • (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
    • (2R,3S,4R,5R)-3,4,5,6-Tetrahydroxy-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexanal
    • UNII-ZHQ3C30OP1
    • EINECS 208-600-6
    • Sophorose, >=98%
    • SOPHOROSE [MI]
    • Epitope ID:140628
    • SCHEMBL1973631
    • 2-O-beta-D-glucopyranosy-D-glucose
    • HY-119445
    • CS-0068393
    • NS00043566
    • 2-O-.BETA.-D-GLUCOPYRANOSYL-D-GLUCOSE
    • D-GLUCOSE, 2-O-.BETA.-D-GLUCOPYRANOSYL-
    • Q27895304
    • 31881AC1-4AE7-4539-BAD5-12E09CC012D2
    • 534-46-3

  • Applications

    Sophorose (CAS 534-46-3) is a β-D-glucopyranosyl-(1→2)-D-glucopyranose disaccharide that is primarily used as an inducer of cellulolytic enzyme production in filamentous fungi, supporting industrial enzyme manufacturing and bioprocess workflows. In research and development, it serves as a defined substrate/inducer in glycosidase and CAZyme assays, helping characterize enzyme induction mechanisms and specificity. It is also used as a model disaccharide in carbohydrate chemistry and enzymology studies to probe glycosidic bond hydrolysis and transglycosylation, and may be incorporated into defined carbon sources in fermentation studies to investigate regulatory pathways controlling CAZyme expression. Additionally, it can function as a specialized building block or intermediate for oligosaccharide synthesis in academic and industrial carbohydrate chemistry contexts.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.8
    methanol 4.8
    isopropanol 0.29
    water 667.04
    ethyl acetate 0.2
    n-propanol 0.46
    acetone 0.41
    n-butanol 0.42
    acetonitrile 0.31
    DMF 57.12
    toluene 0.16
    isobutanol 0.2
    1,4-dioxane 1.37
    methyl acetate 0.2
    THF 0.83
    2-butanone 0.27
    n-pentanol 0.16
    sec-butanol 0.31
    n-hexane 0.03
    ethylene glycol 48.41
    NMP 51.6
    cyclohexane 0.28
    DMSO 262.16
    n-butyl acetate 0.13
    n-octanol 0.27
    chloroform 0.05
    n-propyl acetate 0.08
    acetic acid 8.85
    dichloromethane 0.07
    cyclohexanone 0.99
    propylene glycol 13.86
    isopropyl acetate 0.15
    DMAc 30.02
    2-ethoxyethanol 3.97
    isopentanol 0.23
    n-heptane 0.17
    ethyl formate 0.29
    1,2-dichloroethane 0.13
    n-hexanol 0.31
    2-methoxyethanol 17.03
    isobutyl acetate 0.04
    tetrachloromethane 0.04
    n-pentyl acetate 0.15
    transcutol 6.74
    n-heptanol 0.4
    ethylbenzene 0.07
    MIBK 0.18
    2-propoxyethanol 2.9
    tert-butanol 0.36
    MTBE 0.1
    2-butoxyethanol 1.8
    propionic acid 1.59
    o-xylene 0.27
    formic acid 192.74
    diethyl ether 0.17
    m-xylene 0.16
    p-xylene 0.06
    chlorobenzene 0.04
    dimethyl carbonate 1.58
    n-octane 0.08
    formamide 119.91
    cyclopentanone 1.25
    2-pentanone 0.3
    anisole 0.14
    cyclopentyl methyl ether 0.8
    gamma-butyrolactone 2.1
    1-methoxy-2-propanol 7.78
    pyridine 0.75
    3-pentanone 0.4
    furfural 3.57
    n-dodecane 0.03
    diethylene glycol 14.81
    diisopropyl ether 0.08
    tert-amyl alcohol 0.38
    acetylacetone 0.94
    n-hexadecane 0.04
    acetophenone 0.33
    methyl propionate 0.69
    isopentyl acetate 0.09
    trichloroethylene 0.16
    n-nonanol 0.28
    cyclohexanol 1.19
    benzyl alcohol 0.43
    2-ethylhexanol 0.18
    isooctanol 0.21
    dipropyl ether 0.35
    1,2-dichlorobenzene 0.05
    ethyl lactate 0.94
    propylene carbonate 0.71
    n-methylformamide 14.06
    2-pentanol 0.28
    n-pentane 0.07
    1-propoxy-2-propanol 1.69
    1-methoxy-2-propyl acetate 0.77
    2-(2-methoxypropoxy) propanol 2.09
    mesitylene 0.14
    ε-caprolactone 1.1
    p-cymene 0.12
    epichlorohydrin 0.66
    1,1,1-trichloroethane 0.03
    2-aminoethanol 17.37
    morpholine-4-carbaldehyde 26.62
    sulfolane 22.2
    2,2,4-trimethylpentane 0.03
    2-methyltetrahydrofuran 0.42
    n-hexyl acetate 0.18
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 2.94
    sec-butyl acetate 0.06
    tert-butyl acetate 0.19
    decalin 0.04
    glycerin 98.75
    diglyme 4.8
    acrylic acid 4.68
    isopropyl myristate 0.08
    n-butyric acid 0.96
    acetyl acetate 0.28
    di(2-ethylhexyl) phthalate 0.18
    ethyl propionate 0.15
    nitromethane 7.67
    1,2-diethoxyethane 0.42
    benzonitrile 0.14
    trioctyl phosphate 0.18
    1-bromopropane 0.05
    gamma-valerolactone 5.52
    n-decanol 0.21
    triethyl phosphate 0.3
    4-methyl-2-pentanol 0.13
    propionitrile 0.16
    vinylene carbonate 0.8
    1,1,2-trichlorotrifluoroethane 8.41
    DMS 0.44
    cumene 0.05
    2-octanol 0.2
    2-hexanone 0.09
    octyl acetate 0.14
    limonene 0.21
    1,2-dimethoxyethane 1.71
    ethyl orthosilicate 0.26
    tributyl phosphate 0.14
    diacetone alcohol 1.51
    N,N-dimethylaniline 0.31
    acrylonitrile 0.46
    aniline 0.52
    1,3-propanediol 9.57
    bromobenzene 0.03
    dibromomethane 0.05
    1,1,2,2-tetrachloroethane 0.22
    2-methyl-cyclohexyl acetate 0.16
    tetrabutyl urea 0.43
    diisobutyl methanol 0.15
    2-phenylethanol 0.38
    styrene 0.05
    dioctyl adipate 0.18
    dimethyl sulfate 8.02
    ethyl butyrate 0.19
    methyl lactate 6.47
    butyl lactate 0.6
    diethyl carbonate 0.13
    propanediol butyl ether 3.03
    triethyl orthoformate 0.31
    p-tert-butyltoluene 0.13
    methyl 4-tert-butylbenzoate 0.85
    morpholine 2.63
    tert-butylamine 0.14
    n-dodecanol 0.16
    dimethoxymethane 5.07
    ethylene carbonate 0.54
    cyrene 5.63
    2-ethoxyethyl acetate 0.35
    2-ethylhexyl acetate 0.08
    1,2,4-trichlorobenzene 0.08
    4-methylpyridine 0.36
    dibutyl ether 0.14
    2,6-dimethyl-4-heptanol 0.15
    DEF 2.9
    dimethyl isosorbide 2.71
    tetrachloroethylene 0.27
    eugenol 1.01
    triacetin 0.61
    span 80 1.99
    1,4-butanediol 2.79
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.1
    methyl formate 5.17
    2-methyl-1-butanol 0.27
    n-decane 0.06
    butyronitrile 0.12
    3,7-dimethyl-1-octanol 0.13
    1-chlorooctane 0.08
    1-chlorotetradecane 0.04
    n-nonane 0.07
    undecane 0.05
    tert-butylcyclohexane 0.02
    cyclooctane 0.18
    cyclopentanol 1.0
    tetrahydropyran 0.47
    tert-amyl methyl ether 0.21
    2,5,8-trioxanonane 4.64
    1-hexene 0.04
    2-isopropoxyethanol 1.18
    2,2,2-trifluoroethanol 11.43
    methyl butyrate 0.2

    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