GlyTouCan:G88112CV

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  • Identifiers

    CAS number
    50480-67-6

    Molecular formula
    C12H10O4

    SMILES
    C1=CC=C(C=C1)/C(=C/C=C/C(=O)C(=O)O)/O

    Safety labels

  • Odor profile

    Fragrance
    Spicy 41.06%
    Sweet 40.87%
    Balsamic 40.53%
    Caramellic 39.65%
    Burnt 32.3%
    Nutty 29.42%
    Odorless 26.21%
    Green 25.89%
    Herbal 24.94%
    Vegetable 24.02%

     

    Flavor
    Odorless 43.02%
    Nutty 33.27%
    Balsam 29.92%
    Very mild 29.29%
    Honey 26.71%
    Faint 26.24%
    Balsamic 23.11%
    Mild 22.21%
    Urine 22.18%
    Sour 22.16%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.37 (neutral)

    Molecular weight
    218.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    386°C

    Flash point

    • 215.71 ˚C est.

  • Synonyms

    • RefChem:768538
    • GlyTouCan:G88112CV
    • G88112CV
    • (2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID
    • (2e,4e)-2-Hydroxy-6-Oxo-6-Phenylhexa-2,4-Dienoic Acid
    • (3E,5Z)-6-hydroxy-2-oxo-6-phenylhexa-3,5-dienoic acid
    • 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
    • 50480-67-6
    • 2-Hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid
    • DTXSID801253989
    • 2-hydroxy-6-keto-6-phenylhexa-2,4-dienoic acid
    • 2,4-Hexadienoic acid, 2-hydroxy-6-oxo-6-phenyl-
    • 50480-67-6

  • Applications

    GlyTouCan:G88112CV (CAS 50480-67-6) is a glycan-related compound mainly used as an intermediate in carbohydrate synthesis and as a reference standard for glycan analysis; in pharmaceutical development it can serve as a building block for carbohydrate-based drug candidates and delivery systems; in biotechnology research and glycoanalytics it is used for glycan analysis, in glycan arrays, and in glycoprotein conjugation workflows; in laboratory settings it is also regarded as a reagent for carbohydrate synthesis applications and for quality assessment of carbohydrate-containing materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 25.55
    methanol 36.67
    isopropanol 13.7
    water 0.08
    ethyl acetate 13.16
    n-propanol 20.41
    acetone 22.48
    n-butanol 14.6
    acetonitrile 4.58
    DMF 123.98
    toluene 4.47
    isobutanol 8.65
    1,4-dioxane 24.24
    methyl acetate 20.13
    THF 60.12
    2-butanone 37.39
    n-pentanol 13.28
    sec-butanol 23.46
    n-hexane 0.26
    ethylene glycol 12.38
    NMP 70.94
    cyclohexane 0.14
    DMSO 161.49
    n-butyl acetate 10.08
    n-octanol 5.85
    chloroform 2.1
    n-propyl acetate 8.35
    acetic acid 13.07
    dichloromethane 2.59
    cyclohexanone 19.28
    propylene glycol 16.19
    isopropyl acetate 11.81
    DMAc 205.95
    2-ethoxyethanol 57.92
    isopentanol 13.83
    n-heptane 0.38
    ethyl formate 5.14
    1,2-dichloroethane 5.93
    n-hexanol 13.35
    2-methoxyethanol 92.06
    isobutyl acetate 3.03
    tetrachloromethane 0.49
    n-pentyl acetate 8.08
    transcutol 178.14
    n-heptanol 8.36
    ethylbenzene 3.68
    MIBK 17.07
    2-propoxyethanol 48.73
    tert-butanol 30.45
    MTBE 25.96
    2-butoxyethanol 28.69
    propionic acid 15.17
    o-xylene 6.1
    formic acid 19.34
    diethyl ether 16.15
    m-xylene 4.63
    p-xylene 2.92
    chlorobenzene 2.09
    dimethyl carbonate 14.96
    n-octane 0.24
    formamide 60.93
    cyclopentanone 35.87
    2-pentanone 23.36
    anisole 16.31
    cyclopentyl methyl ether 22.27
    gamma-butyrolactone 40.28
    1-methoxy-2-propanol 67.07
    pyridine 16.75
    3-pentanone 18.58
    furfural 25.57
    n-dodecane 0.27
    diethylene glycol 43.88
    diisopropyl ether 5.03
    tert-amyl alcohol 41.86
    acetylacetone 26.1
    n-hexadecane 0.31
    acetophenone 15.57
    methyl propionate 23.0
    isopentyl acetate 9.86
    trichloroethylene 11.37
    n-nonanol 6.49
    cyclohexanol 11.37
    benzyl alcohol 14.72
    2-ethylhexanol 7.54
    isooctanol 6.84
    dipropyl ether 8.13
    1,2-dichlorobenzene 3.09
    ethyl lactate 12.7
    propylene carbonate 11.06
    n-methylformamide 40.1
    2-pentanol 15.25
    n-pentane 0.21
    1-propoxy-2-propanol 33.71
    1-methoxy-2-propyl acetate 25.27
    2-(2-methoxypropoxy) propanol 35.94
    mesitylene 3.16
    ε-caprolactone 18.76
    p-cymene 3.47
    epichlorohydrin 43.56
    1,1,1-trichloroethane 2.56
    2-aminoethanol 26.1
    morpholine-4-carbaldehyde 59.21
    sulfolane 72.64
    2,2,4-trimethylpentane 0.67
    2-methyltetrahydrofuran 30.69
    n-hexyl acetate 10.85
    isooctane 0.43
    2-(2-butoxyethoxy)ethanol 51.4
    sec-butyl acetate 7.43
    tert-butyl acetate 21.7
    decalin 0.48
    glycerin 35.3
    diglyme 84.16
    acrylic acid 14.51
    isopropyl myristate 5.57
    n-butyric acid 11.24
    acetyl acetate 6.13
    di(2-ethylhexyl) phthalate 6.01
    ethyl propionate 10.41
    nitromethane 32.73
    1,2-diethoxyethane 27.52
    benzonitrile 5.54
    trioctyl phosphate 4.48
    1-bromopropane 2.65
    gamma-valerolactone 44.31
    n-decanol 5.12
    triethyl phosphate 7.12
    4-methyl-2-pentanol 9.66
    propionitrile 6.7
    vinylene carbonate 7.9
    1,1,2-trichlorotrifluoroethane 37.8
    DMS 12.88
    cumene 3.07
    2-octanol 5.2
    2-hexanone 13.14
    octyl acetate 7.09
    limonene 4.87
    1,2-dimethoxyethane 60.05
    ethyl orthosilicate 6.97
    tributyl phosphate 5.24
    diacetone alcohol 46.08
    N,N-dimethylaniline 15.09
    acrylonitrile 11.75
    aniline 12.13
    1,3-propanediol 28.85
    bromobenzene 1.49
    dibromomethane 1.33
    1,1,2,2-tetrachloroethane 12.61
    2-methyl-cyclohexyl acetate 8.49
    tetrabutyl urea 9.69
    diisobutyl methanol 6.34
    2-phenylethanol 14.74
    styrene 3.76
    dioctyl adipate 9.05
    dimethyl sulfate 33.83
    ethyl butyrate 8.81
    methyl lactate 26.01
    butyl lactate 11.76
    diethyl carbonate 5.7
    propanediol butyl ether 24.71
    triethyl orthoformate 8.28
    p-tert-butyltoluene 3.61
    methyl 4-tert-butylbenzoate 19.59
    morpholine 46.81
    tert-butylamine 12.63
    n-dodecanol 3.84
    dimethoxymethane 72.16
    ethylene carbonate 5.2
    cyrene 29.45
    2-ethoxyethyl acetate 19.14
    2-ethylhexyl acetate 6.65
    1,2,4-trichlorobenzene 5.46
    4-methylpyridine 13.44
    dibutyl ether 6.94
    2,6-dimethyl-4-heptanol 6.34
    DEF 42.58
    dimethyl isosorbide 46.79
    tetrachloroethylene 7.63
    eugenol 21.27
    triacetin 16.35
    span 80 21.56
    1,4-butanediol 12.9
    1,1-dichloroethane 2.4
    2-methyl-1-pentanol 14.4
    methyl formate 18.72
    2-methyl-1-butanol 15.23
    n-decane 0.43
    butyronitrile 4.68
    3,7-dimethyl-1-octanol 7.0
    1-chlorooctane 2.26
    1-chlorotetradecane 1.07
    n-nonane 0.33
    undecane 0.34
    tert-butylcyclohexane 0.57
    cyclooctane 0.13
    cyclopentanol 10.97
    tetrahydropyran 13.78
    tert-amyl methyl ether 32.83
    2,5,8-trioxanonane 63.52
    1-hexene 1.93
    2-isopropoxyethanol 34.22
    2,2,2-trifluoroethanol 6.63
    methyl butyrate 11.71

    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