Salviaflaside

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  • Identifiers

    CAS number
    178895-25-5

    Molecular formula
    C24H26O13

    SMILES
    C1=CC(=C(C=C1C[C@H](C(=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)O)O

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  • Odor profile

    Fragrance
    Odorless 78.55%
    Vanilla 26.37%
    Savory 25.8%
    Milky 23.95%
    Balsamic 19.82%
    Burnt 17.99%
    Bitter 17.32%
    Phenolic 17.24%
    Dairy 16.84%
    Spicy 16.8%

     

    Flavor
    Bitter 69.16%
    Odorless 50.03%
    Bland 37.5%
    Very mild 28.54%
    Sweet-like 26.36%
    Mild 23.61%
    Parsley 19.23%
    Cedarleaf 19.02%
    Nitrile 18.94%
    Ethyl benzoate 18.93%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    8.3 (weak base)

    Molecular weight
    522.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2355°C

    Flash point

    • 311.31 ˚C est.

  • Synonyms

    • Salviaflaside
    • 178895-25-5
    • (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]oxypropanoic acid
    • DTXSID501317706
    • (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)oxypropanoic acid
    • RefChem:181019
    • DTXCID301747509
    • (R)-3-(3,4-Dihydroxyphenyl)-2-(((E)-3-(4-hydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)acryloyl)oxy)propanoic acid
    • Salviaflaside (Standard)
    • orb1684944
    • SCHEMBL28340533
    • SCHEMBL30517301
    • HY-N3010R
    • CHEBI:169661
    • HY-N3010
    • AKOS040760151
    • EBC-616834
    • (2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(4-hydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}propanoic acid
    • (R-(E))-alpha-((3-(3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxybenzenepropanoic acid
    • AC-34951
    • DA-57645
    • TS-10116
    • CS-0022923
    • E87204
    • (2R)-3-(3,4-Dihydroxyphenyl)-2-({(2E)-3-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]prop-2-enoyl}oxy)propanoic acid
    • Benzenepropanoic acid, alpha-((3-(3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-, (R-(E))-
    • 178895-25-5

  • Applications

    Salviaflaside (CAS 178895-25-5) is of interest primarily as a natural product and synthetic intermediate. In industry, it may be used as a precursor in the synthesis of fragrance- and flavor-related compounds and as a starting point for aroma chemistry. It can also be evaluated for cosmetic/personal care applications as a fragrance ingredient or supporting material in formulation development, and as an intermediate in broader industrial manufacturing workflows. Additionally, it is encountered in natural product research as a reference compound and analytical standard to study the chemistry of Salvia species.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 366.8
    methanol 391.27
    isopropanol 219.9
    water 19.37
    ethyl acetate 82.16
    n-propanol 202.49
    acetone 818.02
    n-butanol 91.4
    acetonitrile 92.15
    DMF 614.48
    toluene 4.47
    isobutanol 49.44
    1,4-dioxane 312.83
    methyl acetate 105.29
    THF 872.33
    2-butanone 213.71
    n-pentanol 35.75
    sec-butanol 90.74
    n-hexane 0.36
    ethylene glycol 370.37
    NMP 239.28
    cyclohexane 1.49
    DMSO 3983.66
    n-butyl acetate 4.18
    n-octanol 11.94
    chloroform 3.59
    n-propyl acetate 11.19
    acetic acid 760.01
    dichloromethane 7.17
    cyclohexanone 101.88
    propylene glycol 318.45
    isopropyl acetate 30.88
    DMAc 541.45
    2-ethoxyethanol 379.7
    isopentanol 28.18
    n-heptane 0.72
    ethyl formate 65.1
    1,2-dichloroethane 14.2
    n-hexanol 10.52
    2-methoxyethanol 1107.69
    isobutyl acetate 1.84
    tetrachloromethane 0.78
    n-pentyl acetate 7.9
    transcutol 159.58
    n-heptanol 10.46
    ethylbenzene 0.98
    MIBK 21.61
    2-propoxyethanol 95.36
    tert-butanol 114.65
    MTBE 26.17
    2-butoxyethanol 47.77
    propionic acid 128.55
    o-xylene 2.31
    formic acid 618.5
    diethyl ether 63.45
    m-xylene 1.6
    p-xylene 0.93
    chlorobenzene 1.32
    dimethyl carbonate 69.45
    n-octane 0.57
    formamide 959.23
    cyclopentanone 308.63
    2-pentanone 129.06
    anisole 7.64
    cyclopentyl methyl ether 59.42
    gamma-butyrolactone 246.44
    1-methoxy-2-propanol 489.81
    pyridine 72.94
    3-pentanone 56.89
    furfural 89.39
    n-dodecane 0.43
    diethylene glycol 156.63
    diisopropyl ether 4.65
    tert-amyl alcohol 54.25
    acetylacetone 205.59
    n-hexadecane 0.47
    acetophenone 8.42
    methyl propionate 97.09
    isopentyl acetate 2.15
    trichloroethylene 12.62
    n-nonanol 11.6
    cyclohexanol 43.34
    benzyl alcohol 15.39
    2-ethylhexanol 2.21
    isooctanol 4.75
    dipropyl ether 12.16
    1,2-dichlorobenzene 0.62
    ethyl lactate 15.41
    propylene carbonate 26.17
    n-methylformamide 401.76
    2-pentanol 38.39
    n-pentane 0.96
    1-propoxy-2-propanol 41.41
    1-methoxy-2-propyl acetate 15.14
    2-(2-methoxypropoxy) propanol 26.85
    mesitylene 0.79
    ε-caprolactone 60.67
    p-cymene 0.46
    epichlorohydrin 195.04
    1,1,1-trichloroethane 3.01
    2-aminoethanol 389.62
    morpholine-4-carbaldehyde 283.65
    sulfolane 392.49
    2,2,4-trimethylpentane 0.18
    2-methyltetrahydrofuran 146.98
    n-hexyl acetate 9.46
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 66.09
    sec-butyl acetate 4.63
    tert-butyl acetate 20.84
    decalin 0.16
    glycerin 504.5
    diglyme 113.6
    acrylic acid 127.72
    isopropyl myristate 3.52
    n-butyric acid 107.72
    acetyl acetate 32.61
    di(2-ethylhexyl) phthalate 2.45
    ethyl propionate 12.25
    nitromethane 1006.31
    1,2-diethoxyethane 29.63
    benzonitrile 3.88
    trioctyl phosphate 3.2
    1-bromopropane 5.41
    gamma-valerolactone 427.89
    n-decanol 8.78
    triethyl phosphate 1.7
    4-methyl-2-pentanol 6.42
    propionitrile 25.77
    vinylene carbonate 18.43
    1,1,2-trichlorotrifluoroethane 106.08
    DMS 7.78
    cumene 0.44
    2-octanol 6.16
    2-hexanone 18.51
    octyl acetate 7.43
    limonene 1.02
    1,2-dimethoxyethane 206.0
    ethyl orthosilicate 1.8
    tributyl phosphate 2.27
    diacetone alcohol 91.41
    N,N-dimethylaniline 4.37
    acrylonitrile 38.49
    aniline 20.99
    1,3-propanediol 487.15
    bromobenzene 0.71
    dibromomethane 3.53
    1,1,2,2-tetrachloroethane 12.58
    2-methyl-cyclohexyl acetate 1.9
    tetrabutyl urea 7.02
    diisobutyl methanol 1.37
    2-phenylethanol 5.8
    styrene 1.28
    dioctyl adipate 5.83
    dimethyl sulfate 92.47
    ethyl butyrate 4.56
    methyl lactate 110.44
    butyl lactate 9.72
    diethyl carbonate 1.94
    propanediol butyl ether 50.6
    triethyl orthoformate 3.86
    p-tert-butyltoluene 0.52
    methyl 4-tert-butylbenzoate 8.87
    morpholine 420.82
    tert-butylamine 18.38
    n-dodecanol 6.23
    dimethoxymethane 475.88
    ethylene carbonate 20.03
    cyrene 39.59
    2-ethoxyethyl acetate 20.27
    2-ethylhexyl acetate 1.22
    1,2,4-trichlorobenzene 1.35
    4-methylpyridine 28.03
    dibutyl ether 8.06
    2,6-dimethyl-4-heptanol 1.37
    DEF 102.0
    dimethyl isosorbide 20.51
    tetrachloroethylene 6.79
    eugenol 8.39
    triacetin 11.94
    span 80 25.08
    1,4-butanediol 127.05
    1,1-dichloroethane 7.66
    2-methyl-1-pentanol 10.21
    methyl formate 307.35
    2-methyl-1-butanol 27.85
    n-decane 0.81
    butyronitrile 20.59
    3,7-dimethyl-1-octanol 3.69
    1-chlorooctane 2.28
    1-chlorotetradecane 0.91
    n-nonane 0.75
    undecane 0.57
    tert-butylcyclohexane 0.09
    cyclooctane 0.54
    cyclopentanol 132.86
    tetrahydropyran 142.5
    tert-amyl methyl ether 18.2
    2,5,8-trioxanonane 76.4
    1-hexene 1.55
    2-isopropoxyethanol 112.81
    2,2,2-trifluoroethanol 178.65
    methyl butyrate 16.38

    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