1-Caffeoyl-beta-D-glucose

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  • Identifiers

    CAS number
    14364-08-0

    Molecular formula
    C15H18O9

    SMILES
    C1=CC(=C(C=C1/C=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 80.15%
    Vanilla 24.83%
    Savory 22.84%
    Milky 21.24%
    Burnt 18.9%
    Phenolic 18.5%
    Spicy 18.42%
    Balsamic 17.73%
    Bitter 17.42%
    Sweet 15.93%

     

    Flavor
    Bitter 73.76%
    Odorless 43.03%
    Bland 31.53%
    Sweet-like 26.11%
    Very mild 25.62%
    Mild 20.7%
    Cedarleaf 19.54%
    Parsley 19.27%
    Nitrile 19.25%
    Lovage 19.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.6

    pKa est.
    7.41 (neutral)

    Molecular weight
    342.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1692°C

    Flash point

    • 277.72 ˚C est.

  • Synonyms

    • 1-Caffeoyl-beta-D-glucose
    • CHEBI:614
    • DTXSID30415188
    • RefChem:1055197
    • DTXCID20366039
    • 14364-08-0
    • 1-O-caffeoyl-beta-D-glucose
    • b-D-Glucopyranose, 1-[3-(3,4-dihydroxyphenyl)-2-propenoate]
    • [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
    • 1-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranose
    • Caffeic acid hexoside
    • Caffeoyl glucoside
    • 13080-40-5
    • caffeic acid glucoside
    • caffeoyl hexoside
    • caffeoylglucoside I
    • caffeic acid-hexoside
    • caffeic acid-glucoside
    • 1-O-caffeoyl glucose
    • caffeic ester glucoside
    • 1-O-caffeoyl glucoside
    • CHEMBL482242
    • orb1990995
    • SCHEMBL2333086
    • SCHEMBL29531507
    • ACon1_001812
    • 1-O-Caffeoyl-|A-D-glucopyranose
    • caffeic acid-beta-D-glucopyranoside
    • 1-O-[(E)-caffeoyl]-beta-D-glucose
    • AKOS040735825
    • HY-W416228
    • NCGC00180114-01
    • H63010
    • Q27105318
    • 14364-08-0

  • Applications

    1-Caffeoyl-beta-D-glucose (CAS 14364-08-0) is used as a building block and intermediate for the synthesis of hydroxycinnamate esters and related glycosylated derivatives, with potential applications in fragrance and flavor chemistry. It may serve as an antioxidant additive in cosmetics and personal care formulations, helping improve formulation stability. Its glycosylated caffeic acid moiety can function as an aroma precursor for flavor and fragrance applications. In polymer and plastics processing, it can act as a natural antioxidant/stabilizer or co-additive to enhance durability. It is also employed as a research/building block in agrochemical and plant biochemistry development, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 79.87
    methanol 170.0
    isopropanol 33.46
    water 45.81
    ethyl acetate 6.91
    n-propanol 37.1
    acetone 72.95
    n-butanol 21.41
    acetonitrile 11.5
    DMF 200.73
    toluene 1.33
    isobutanol 7.77
    1,4-dioxane 44.99
    methyl acetate 7.66
    THF 98.78
    2-butanone 17.81
    n-pentanol 5.93
    sec-butanol 15.56
    n-hexane 0.15
    ethylene glycol 231.24
    NMP 79.56
    cyclohexane 0.72
    DMSO 1479.02
    n-butyl acetate 0.64
    n-octanol 2.73
    chloroform 0.19
    n-propyl acetate 1.14
    acetic acid 111.74
    dichloromethane 0.3
    cyclohexanone 15.71
    propylene glycol 111.72
    isopropyl acetate 3.0
    DMAc 189.33
    2-ethoxyethanol 125.08
    isopentanol 7.77
    n-heptane 0.54
    ethyl formate 8.3
    1,2-dichloroethane 0.99
    n-hexanol 3.38
    2-methoxyethanol 414.91
    isobutyl acetate 0.26
    tetrachloromethane 0.15
    n-pentyl acetate 1.21
    transcutol 45.49
    n-heptanol 3.4
    ethylbenzene 0.41
    MIBK 3.92
    2-propoxyethanol 29.36
    tert-butanol 22.24
    MTBE 3.35
    2-butoxyethanol 14.44
    propionic acid 19.34
    o-xylene 1.12
    formic acid 380.98
    diethyl ether 8.21
    m-xylene 0.75
    p-xylene 0.36
    chlorobenzene 0.2
    dimethyl carbonate 11.12
    n-octane 0.34
    formamide 508.61
    cyclopentanone 36.72
    2-pentanone 15.45
    anisole 1.74
    cyclopentyl methyl ether 12.01
    gamma-butyrolactone 33.84
    1-methoxy-2-propanol 136.39
    pyridine 10.59
    3-pentanone 7.57
    furfural 20.18
    n-dodecane 0.2
    diethylene glycol 76.04
    diisopropyl ether 1.06
    tert-amyl alcohol 11.85
    acetylacetone 23.66
    n-hexadecane 0.22
    acetophenone 2.33
    methyl propionate 11.26
    isopentyl acetate 0.51
    trichloroethylene 0.91
    n-nonanol 2.9
    cyclohexanol 13.49
    benzyl alcohol 4.72
    2-ethylhexanol 1.12
    isooctanol 1.9
    dipropyl ether 3.29
    1,2-dichlorobenzene 0.17
    ethyl lactate 5.01
    propylene carbonate 4.39
    n-methylformamide 128.73
    2-pentanol 8.16
    n-pentane 0.35
    1-propoxy-2-propanol 12.5
    1-methoxy-2-propyl acetate 3.67
    2-(2-methoxypropoxy) propanol 12.03
    mesitylene 0.46
    ε-caprolactone 9.55
    p-cymene 0.37
    epichlorohydrin 21.39
    1,1,1-trichloroethane 0.24
    2-aminoethanol 200.66
    morpholine-4-carbaldehyde 88.52
    sulfolane 89.67
    2,2,4-trimethylpentane 0.1
    2-methyltetrahydrofuran 19.26
    n-hexyl acetate 1.71
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 21.22
    sec-butyl acetate 0.59
    tert-butyl acetate 3.13
    decalin 0.11
    glycerin 248.55
    diglyme 36.34
    acrylic acid 26.46
    isopropyl myristate 0.9
    n-butyric acid 15.75
    acetyl acetate 3.32
    di(2-ethylhexyl) phthalate 1.19
    ethyl propionate 1.64
    nitromethane 160.84
    1,2-diethoxyethane 5.13
    benzonitrile 0.97
    trioctyl phosphate 1.21
    1-bromopropane 0.51
    gamma-valerolactone 68.66
    n-decanol 2.3
    triethyl phosphate 1.01
    4-methyl-2-pentanol 2.08
    propionitrile 3.7
    vinylene carbonate 3.55
    1,1,2-trichlorotrifluoroethane 32.57
    DMS 1.92
    cumene 0.23
    2-octanol 1.83
    2-hexanone 2.11
    octyl acetate 1.57
    limonene 0.71
    1,2-dimethoxyethane 53.28
    ethyl orthosilicate 1.03
    tributyl phosphate 0.92
    diacetone alcohol 20.26
    N,N-dimethylaniline 1.74
    acrylonitrile 6.32
    aniline 5.26
    1,3-propanediol 196.71
    bromobenzene 0.12
    dibromomethane 0.2
    1,1,2,2-tetrachloroethane 1.19
    2-methyl-cyclohexyl acetate 0.77
    tetrabutyl urea 2.67
    diisobutyl methanol 0.87
    2-phenylethanol 2.47
    styrene 0.36
    dioctyl adipate 1.7
    dimethyl sulfate 23.63
    ethyl butyrate 0.99
    methyl lactate 32.12
    butyl lactate 2.68
    diethyl carbonate 0.7
    propanediol butyl ether 14.77
    triethyl orthoformate 1.36
    p-tert-butyltoluene 0.41
    methyl 4-tert-butylbenzoate 4.3
    morpholine 80.05
    tert-butylamine 4.26
    n-dodecanol 1.75
    dimethoxymethane 108.05
    ethylene carbonate 3.18
    cyrene 17.32
    2-ethoxyethyl acetate 3.11
    2-ethylhexyl acetate 0.35
    1,2,4-trichlorobenzene 0.33
    4-methylpyridine 4.54
    dibutyl ether 1.74
    2,6-dimethyl-4-heptanol 0.87
    DEF 24.85
    dimethyl isosorbide 12.13
    tetrachloroethylene 1.05
    eugenol 5.13
    triacetin 3.3
    span 80 9.1
    1,4-butanediol 50.02
    1,1-dichloroethane 0.33
    2-methyl-1-pentanol 2.51
    methyl formate 71.26
    2-methyl-1-butanol 7.04
    n-decane 0.39
    butyronitrile 3.32
    3,7-dimethyl-1-octanol 1.42
    1-chlorooctane 0.65
    1-chlorotetradecane 0.31
    n-nonane 0.36
    undecane 0.27
    tert-butylcyclohexane 0.06
    cyclooctane 0.34
    cyclopentanol 23.5
    tetrahydropyran 18.42
    tert-amyl methyl ether 3.92
    2,5,8-trioxanonane 30.2
    1-hexene 0.38
    2-isopropoxyethanol 26.81
    2,2,2-trifluoroethanol 39.51
    methyl butyrate 2.27

    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