Gaylussacin

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  • Identifiers

    CAS number
    38232-08-5

    Molecular formula
    C21H22O9

    SMILES
    C1=CC=C(C=C1)/C=C/C2=C(C(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C(=O)O

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  • Odor profile

    Fragrance
    Odorless 57.93%
    Sweet 42.19%
    Balsamic 33.38%
    Spicy 28.49%
    Vanilla 26.28%
    Bitter 23.75%
    Phenolic 21.35%
    Powdery 20.5%
    Floral 18.87%
    Milky 18.13%

     

    Flavor
    Bitter 79.19%
    Odorless 36.13%
    Bland 26.29%
    Mild 23.05%
    Sweet-like 22.66%
    Cedarleaf 20.13%
    Nitrile 19.72%
    Lovage 19.7%
    Ethyl benzoate 19.5%
    Parsley 19.34%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    5.69 (weak acid)

    Molecular weight
    418.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2622°C

    Flash point

    • 294.57 ˚C est.

  • Synonyms

    • Gaylussacin
    • 38232-08-5
    • DTXSID901318168
    • 5-(beta-D-Glucosyloxy)-3-hydroxy-trans-stilbene-2-carboxylic acid
    • RefChem:142747
    • DTXCID201747956
    • Benzoic acid, 4-(beta-D-glucopyranosyloxy)-2-hydroxy-6-[(1E)-2-phenylethenyl]-
    • orb1991780
    • CHEBI:191995
    • AKOS040734977
    • 2-hydroxy-6-[(E)-2-phenylethenyl]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid
    • 4-(beta-D-Glucopyranosyloxy)-2-hydroxy-6-[(E)-2-phenylethenyl]benzoic acid
    • 38232-08-5

  • Applications

    Gaylussacin (CAS 38232-08-5) is used as an intermediate in organic synthesis and as a solvent or co-solvent in certain industrial formulations. It is sometimes evaluated as an odorant or fragrance raw material for perfumery and cosmetics, contributing to specific scent profiles. In coatings and inks, it can serve as a processing aid or formulation component to influence solvency and viscosity. In polymer formulations, it may be evaluated for use in polymer processing and additive packages. Its exact role is formulation dependent and subject to local regulations and limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.69
    methanol 29.97
    isopropanol 3.5
    water 0.49
    ethyl acetate 0.91
    n-propanol 7.96
    acetone 13.99
    n-butanol 3.51
    acetonitrile 1.11
    DMF 88.51
    toluene 0.32
    isobutanol 2.06
    1,4-dioxane 4.09
    methyl acetate 1.73
    THF 15.02
    2-butanone 5.68
    n-pentanol 1.21
    sec-butanol 2.94
    n-hexane 0.03
    ethylene glycol 32.03
    NMP 63.33
    cyclohexane 0.06
    DMSO 421.37
    n-butyl acetate 0.23
    n-octanol 0.8
    chloroform 0.11
    n-propyl acetate 0.28
    acetic acid 28.46
    dichloromethane 0.11
    cyclohexanone 4.77
    propylene glycol 45.3
    isopropyl acetate 0.56
    DMAc 102.94
    2-ethoxyethanol 23.55
    isopentanol 1.52
    n-heptane 0.06
    ethyl formate 1.45
    1,2-dichloroethane 0.3
    n-hexanol 0.8
    2-methoxyethanol 99.23
    isobutyl acetate 0.12
    tetrachloromethane 0.05
    n-pentyl acetate 0.47
    transcutol 26.67
    n-heptanol 1.06
    ethylbenzene 0.1
    MIBK 1.26
    2-propoxyethanol 13.44
    tert-butanol 2.41
    MTBE 0.61
    2-butoxyethanol 6.66
    propionic acid 6.88
    o-xylene 0.25
    formic acid 75.51
    diethyl ether 1.05
    m-xylene 0.23
    p-xylene 0.09
    chlorobenzene 0.07
    dimethyl carbonate 4.02
    n-octane 0.03
    formamide 93.92
    cyclopentanone 11.89
    2-pentanone 3.58
    anisole 0.44
    cyclopentyl methyl ether 2.09
    gamma-butyrolactone 11.64
    1-methoxy-2-propanol 51.08
    pyridine 2.44
    3-pentanone 2.28
    furfural 8.04
    n-dodecane 0.02
    diethylene glycol 29.35
    diisopropyl ether 0.16
    tert-amyl alcohol 2.15
    acetylacetone 5.75
    n-hexadecane 0.03
    acetophenone 0.79
    methyl propionate 3.17
    isopentyl acetate 0.27
    trichloroethylene 0.56
    n-nonanol 0.86
    cyclohexanol 1.77
    benzyl alcohol 1.22
    2-ethylhexanol 0.3
    isooctanol 0.67
    dipropyl ether 0.65
    1,2-dichlorobenzene 0.08
    ethyl lactate 2.34
    propylene carbonate 1.89
    n-methylformamide 39.75
    2-pentanol 1.18
    n-pentane 0.05
    1-propoxy-2-propanol 6.13
    1-methoxy-2-propyl acetate 2.39
    2-(2-methoxypropoxy) propanol 7.35
    mesitylene 0.13
    ε-caprolactone 3.31
    p-cymene 0.1
    epichlorohydrin 6.0
    1,1,1-trichloroethane 0.09
    2-aminoethanol 46.3
    morpholine-4-carbaldehyde 36.25
    sulfolane 57.26
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.61
    n-hexyl acetate 0.7
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 10.31
    sec-butyl acetate 0.18
    tert-butyl acetate 0.86
    decalin 0.02
    glycerin 104.82
    diglyme 16.11
    acrylic acid 11.15
    isopropyl myristate 0.3
    n-butyric acid 4.08
    acetyl acetate 0.6
    di(2-ethylhexyl) phthalate 0.68
    ethyl propionate 0.46
    nitromethane 32.72
    1,2-diethoxyethane 1.52
    benzonitrile 0.3
    trioctyl phosphate 0.59
    1-bromopropane 0.15
    gamma-valerolactone 28.12
    n-decanol 0.6
    triethyl phosphate 0.47
    4-methyl-2-pentanol 0.5
    propionitrile 0.85
    vinylene carbonate 1.73
    1,1,2-trichlorotrifluoroethane 20.5
    DMS 1.07
    cumene 0.06
    2-octanol 0.46
    2-hexanone 0.7
    octyl acetate 0.57
    limonene 0.18
    1,2-dimethoxyethane 10.56
    ethyl orthosilicate 0.42
    tributyl phosphate 0.48
    diacetone alcohol 7.57
    N,N-dimethylaniline 0.5
    acrylonitrile 1.99
    aniline 1.11
    1,3-propanediol 33.32
    bromobenzene 0.04
    dibromomethane 0.08
    1,1,2,2-tetrachloroethane 0.6
    2-methyl-cyclohexyl acetate 0.41
    tetrabutyl urea 1.2
    diisobutyl methanol 0.24
    2-phenylethanol 0.88
    styrene 0.09
    dioctyl adipate 0.78
    dimethyl sulfate 12.97
    ethyl butyrate 0.39
    methyl lactate 17.92
    butyl lactate 1.84
    diethyl carbonate 0.27
    propanediol butyl ether 8.36
    triethyl orthoformate 0.55
    p-tert-butyltoluene 0.11
    methyl 4-tert-butylbenzoate 2.67
    morpholine 10.94
    tert-butylamine 0.48
    n-dodecanol 0.39
    dimethoxymethane 32.6
    ethylene carbonate 1.08
    cyrene 10.41
    2-ethoxyethyl acetate 1.36
    2-ethylhexyl acetate 0.17
    1,2,4-trichlorobenzene 0.16
    4-methylpyridine 1.07
    dibutyl ether 0.36
    2,6-dimethyl-4-heptanol 0.24
    DEF 6.34
    dimethyl isosorbide 9.48
    tetrachloroethylene 0.53
    eugenol 3.21
    triacetin 2.17
    span 80 5.24
    1,4-butanediol 6.68
    1,1-dichloroethane 0.11
    2-methyl-1-pentanol 0.67
    methyl formate 16.96
    2-methyl-1-butanol 1.81
    n-decane 0.05
    butyronitrile 0.53
    3,7-dimethyl-1-octanol 0.49
    1-chlorooctane 0.14
    1-chlorotetradecane 0.06
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.04
    cyclopentanol 3.46
    tetrahydropyran 1.93
    tert-amyl methyl ether 0.84
    2,5,8-trioxanonane 13.23
    1-hexene 0.09
    2-isopropoxyethanol 5.34
    2,2,2-trifluoroethanol 8.27
    methyl butyrate 0.68

    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