Salviaflaside Methyl Ester

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  • Identifiers

    CAS number
    178860-70-3

    Molecular formula
    C25H28O13

    SMILES
    COC(=O)[C@@H](CC1=CC(=C(C=C1)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 75.98%
    Vanilla 29.94%
    Milky 26.43%
    Savory 25.35%
    Balsamic 18.89%
    Creamy 18.68%
    Dairy 18.56%
    Sweet 18.16%
    Burnt 18.08%
    Spicy 16.87%

     

    Flavor
    Bitter 77.25%
    Odorless 43.29%
    Bland 38.34%
    Very mild 25.83%
    Sweet-like 25.71%
    Mild 21.12%
    Parsley 19.57%
    Cedarleaf 19.25%
    Ethyl benzoate 19.06%
    Lovage 18.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    8.74 (weak base)

    Molecular weight
    536.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2668°C

    Flash point

    • 275.03 ˚C est.

  • Synonyms

    • Salviaflaside Methyl Ester
    • CHEMBL2335276
    • CHEBI:191481
    • DTXSID301104521
    • 178860-70-3
    • methyl (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoyl]oxypropanoate
    • Methyl (I+/-R)-I+/--[[(2E)-3-[3-(I(2)-D-glucopyranosyloxy)-4-hydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxybenzenepropanoate
    • 178860-70-3

  • Applications

    Salviaflaside Methyl Ester (CAS 178860-70-3) is primarily encountered as a synthetic intermediate in organic chemistry, with potential use in pharmaceutical and agrochemical synthesis. In formulation contexts, it may be evaluated for antioxidant and stabilizing effects in cosmetics and personal care products, helping protect ingredients from oxidation. Its sage-derived scent character also supports its consideration as a fragrance ingredient or odorant and, in perfumery, as a potential fixative or aroma component. In early-stage research, it can serve as a starting point for medicinal chemistry explorations and SAR studies, or as a precursor in the development of related bioactive compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 165.39
    methanol 184.02
    isopropanol 102.17
    water 6.95
    ethyl acetate 48.62
    n-propanol 100.77
    acetone 393.17
    n-butanol 51.02
    acetonitrile 42.91
    DMF 342.92
    toluene 3.77
    isobutanol 26.46
    1,4-dioxane 208.2
    methyl acetate 61.74
    THF 588.91
    2-butanone 118.32
    n-pentanol 21.98
    sec-butanol 50.31
    n-hexane 0.27
    ethylene glycol 176.88
    NMP 157.79
    cyclohexane 1.2
    DMSO 2251.39
    n-butyl acetate 2.52
    n-octanol 8.39
    chloroform 4.21
    n-propyl acetate 6.77
    acetic acid 399.91
    dichloromethane 7.5
    cyclohexanone 68.06
    propylene glycol 163.1
    isopropyl acetate 18.0
    DMAc 327.57
    2-ethoxyethanol 203.4
    isopentanol 16.54
    n-heptane 0.56
    ethyl formate 33.0
    1,2-dichloroethane 11.77
    n-hexanol 6.26
    2-methoxyethanol 587.63
    isobutyl acetate 1.33
    tetrachloromethane 0.72
    n-pentyl acetate 5.81
    transcutol 113.1
    n-heptanol 7.11
    ethylbenzene 0.86
    MIBK 13.07
    2-propoxyethanol 55.99
    tert-butanol 56.09
    MTBE 15.58
    2-butoxyethanol 31.06
    propionic acid 71.75
    o-xylene 1.95
    formic acid 322.19
    diethyl ether 41.08
    m-xylene 1.36
    p-xylene 0.82
    chlorobenzene 1.26
    dimethyl carbonate 46.84
    n-octane 0.46
    formamide 446.39
    cyclopentanone 201.09
    2-pentanone 74.03
    anisole 6.01
    cyclopentyl methyl ether 45.39
    gamma-butyrolactone 159.06
    1-methoxy-2-propanol 260.96
    pyridine 51.52
    3-pentanone 36.85
    furfural 61.16
    n-dodecane 0.33
    diethylene glycol 89.49
    diisopropyl ether 3.12
    tert-amyl alcohol 27.58
    acetylacetone 123.01
    n-hexadecane 0.37
    acetophenone 6.59
    methyl propionate 59.53
    isopentyl acetate 1.41
    trichloroethylene 11.87
    n-nonanol 8.3
    cyclohexanol 30.81
    benzyl alcohol 12.1
    2-ethylhexanol 1.53
    isooctanol 3.47
    dipropyl ether 7.73
    1,2-dichlorobenzene 0.64
    ethyl lactate 10.02
    propylene carbonate 17.17
    n-methylformamide 211.67
    2-pentanol 23.83
    n-pentane 0.73
    1-propoxy-2-propanol 24.81
    1-methoxy-2-propyl acetate 9.5
    2-(2-methoxypropoxy) propanol 18.81
    mesitylene 0.64
    ε-caprolactone 42.32
    p-cymene 0.38
    epichlorohydrin 128.06
    1,1,1-trichloroethane 2.67
    2-aminoethanol 175.83
    morpholine-4-carbaldehyde 174.93
    sulfolane 257.84
    2,2,4-trimethylpentane 0.15
    2-methyltetrahydrofuran 98.22
    n-hexyl acetate 7.19
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 44.01
    sec-butyl acetate 2.95
    tert-butyl acetate 12.65
    decalin 0.14
    glycerin 283.69
    diglyme 74.86
    acrylic acid 77.49
    isopropyl myristate 2.42
    n-butyric acid 61.1
    acetyl acetate 21.13
    di(2-ethylhexyl) phthalate 2.08
    ethyl propionate 7.59
    nitromethane 540.19
    1,2-diethoxyethane 21.41
    benzonitrile 3.24
    trioctyl phosphate 2.37
    1-bromopropane 4.55
    gamma-valerolactone 271.44
    n-decanol 5.85
    triethyl phosphate 1.3
    4-methyl-2-pentanol 4.27
    propionitrile 15.38
    vinylene carbonate 13.26
    1,1,2-trichlorotrifluoroethane 77.21
    DMS 6.22
    cumene 0.39
    2-octanol 4.59
    2-hexanone 11.75
    octyl acetate 5.02
    limonene 0.84
    1,2-dimethoxyethane 123.58
    ethyl orthosilicate 1.4
    tributyl phosphate 1.82
    diacetone alcohol 52.22
    N,N-dimethylaniline 3.45
    acrylonitrile 24.04
    aniline 15.32
    1,3-propanediol 244.58
    bromobenzene 0.71
    dibromomethane 3.65
    1,1,2,2-tetrachloroethane 11.22
    2-methyl-cyclohexyl acetate 1.41
    tetrabutyl urea 4.84
    diisobutyl methanol 1.03
    2-phenylethanol 4.21
    styrene 1.11
    dioctyl adipate 4.26
    dimethyl sulfate 64.46
    ethyl butyrate 2.94
    methyl lactate 67.3
    butyl lactate 7.39
    diethyl carbonate 1.35
    propanediol butyl ether 36.13
    triethyl orthoformate 2.74
    p-tert-butyltoluene 0.41
    methyl 4-tert-butylbenzoate 6.78
    morpholine 265.13
    tert-butylamine 9.62
    n-dodecanol 4.07
    dimethoxymethane 293.94
    ethylene carbonate 13.44
    cyrene 28.59
    2-ethoxyethyl acetate 15.07
    2-ethylhexyl acetate 0.85
    1,2,4-trichlorobenzene 1.37
    4-methylpyridine 20.3
    dibutyl ether 6.05
    2,6-dimethyl-4-heptanol 1.03
    DEF 61.01
    dimethyl isosorbide 15.72
    tetrachloroethylene 6.26
    eugenol 7.06
    triacetin 9.73
    span 80 18.25
    1,4-butanediol 68.73
    1,1-dichloroethane 6.36
    2-methyl-1-pentanol 7.04
    methyl formate 164.42
    2-methyl-1-butanol 17.02
    n-decane 0.67
    butyronitrile 12.8
    3,7-dimethyl-1-octanol 2.81
    1-chlorooctane 1.82
    1-chlorotetradecane 0.69
    n-nonane 0.61
    undecane 0.46
    tert-butylcyclohexane 0.08
    cyclooctane 0.46
    cyclopentanol 83.92
    tetrahydropyran 101.06
    tert-amyl methyl ether 11.48
    2,5,8-trioxanonane 50.88
    1-hexene 1.18
    2-isopropoxyethanol 61.58
    2,2,2-trifluoroethanol 99.23
    methyl butyrate 10.09

    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