Melitric acid A

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  • Identifiers

    CAS number
    153765-45-8

    Molecular formula
    C27H22O12

    SMILES
    C1=CC(=C(C=C1CC(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O/C(=C\C3=CC(=C(C=C3)O)O)/C(=O)O)O)O)O

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  • Odor profile

    Fragrance
    Odorless 71.21%
    Balsamic 26.17%
    Savory 24.85%
    Phenolic 23.19%
    Burnt 23.07%
    Milky 22.12%
    Vanilla 22.01%
    Spicy 18.01%
    Cooked 17.4%
    Bitter 16.89%

     

    Flavor
    Bitter 70.13%
    Odorless 55.46%
    Bland 34.99%
    Very mild 29.44%
    Mild 26.97%
    Sweet-like 23.47%
    Nitrile 19.72%
    Faint 19.59%
    Yeast 19.37%
    Ethyl benzoate 19.13%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    8.9 (weak base)

    Molecular weight
    538.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    791°C

    Melting point expt.

    • 135 - 138 °C

    Flash point

    • 335.09 ˚C est.

  • Synonyms

    • Melitric acid A
    • (2Z)-2-(4-((1E)-3-((1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy)-3-oxoprop-1-en-1-yl)-2-hydroxyphenoxy)-3-(3,4-dihydroxyphenyl)prop-2-enoate
    • (2Z)-2-{4-[(1E)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3-(3,4-dihydroxyphenyl)prop-2-enoate
    • 153765-45-8
    • 2-((E)-3-(4-((Z)-1-carboxy-2-(3,4-dihydroxyphenyl)ethenoxy)-3-hydroxyphenyl)prop-2-enoyl)oxy-3-(3,4-dihydroxyphenyl)propanoic acid
    • 2-[(E)-3-[4-[(Z)-1-carboxy-2-(3,4-dihydroxyphenyl)ethenoxy]-3-hydroxyphenyl]prop-2-enoyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
    • RefChem:156392
    • Salvianolic acid I
    • Schizotenuin E
    • SCHEMBL29407025
    • (2Z)-2-{4-[(1E)-3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxoprop-1-en-1-yl]-2-hydroxyphenoxy}-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
    • 153765-45-8

  • Applications

    Melitric acid A (CAS 153765-45-8) is viewed as an organic synthesis intermediate and may function as a chelating agent in industrial systems; typical applications include use as an additive in coatings and inks to improve stability and adhesion, as an additive for plastics and polymers to enhance functionality and processability, in cleaning and industrial sanitation formulations as a sequestering agent and pH adjuster, and it is considered a precursor for the synthesis of other specialty chemicals, depending on local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 383.0
    methanol 292.58
    isopropanol 235.84
    water 2.85
    ethyl acetate 71.26
    n-propanol 258.22
    acetone 626.44
    n-butanol 94.86
    acetonitrile 53.28
    DMF 683.96
    toluene 5.65
    isobutanol 63.18
    1,4-dioxane 378.08
    methyl acetate 126.93
    THF 1674.63
    2-butanone 291.88
    n-pentanol 44.06
    sec-butanol 140.15
    n-hexane 0.47
    ethylene glycol 179.9
    NMP 261.48
    cyclohexane 1.23
    DMSO 3120.93
    n-butyl acetate 5.86
    n-octanol 16.02
    chloroform 6.12
    n-propyl acetate 13.99
    acetic acid 351.64
    dichloromethane 10.23
    cyclohexanone 105.28
    propylene glycol 246.63
    isopropyl acetate 26.77
    DMAc 589.64
    2-ethoxyethanol 382.14
    isopentanol 26.96
    n-heptane 0.64
    ethyl formate 52.56
    1,2-dichloroethane 17.52
    n-hexanol 11.78
    2-methoxyethanol 987.09
    isobutyl acetate 2.33
    tetrachloromethane 0.76
    n-pentyl acetate 10.67
    transcutol 157.84
    n-heptanol 12.63
    ethylbenzene 1.51
    MIBK 19.39
    2-propoxyethanol 109.82
    tert-butanol 124.71
    MTBE 51.59
    2-butoxyethanol 56.06
    propionic acid 126.73
    o-xylene 2.67
    formic acid 271.62
    diethyl ether 90.4
    m-xylene 1.67
    p-xylene 1.26
    chlorobenzene 1.54
    dimethyl carbonate 58.45
    n-octane 0.54
    formamide 505.85
    cyclopentanone 354.99
    2-pentanone 118.65
    anisole 12.76
    cyclopentyl methyl ether 78.23
    gamma-butyrolactone 288.57
    1-methoxy-2-propanol 448.03
    pyridine 112.77
    3-pentanone 61.94
    furfural 78.75
    n-dodecane 0.45
    diethylene glycol 109.48
    diisopropyl ether 5.32
    tert-amyl alcohol 80.39
    acetylacetone 133.21
    n-hexadecane 0.49
    acetophenone 9.72
    methyl propionate 100.89
    isopentyl acetate 2.94
    trichloroethylene 18.03
    n-nonanol 16.06
    cyclohexanol 43.81
    benzyl alcohol 18.36
    2-ethylhexanol 2.45
    isooctanol 5.58
    dipropyl ether 18.16
    1,2-dichlorobenzene 0.63
    ethyl lactate 12.94
    propylene carbonate 22.33
    n-methylformamide 349.8
    2-pentanol 40.12
    n-pentane 1.16
    1-propoxy-2-propanol 50.16
    1-methoxy-2-propyl acetate 16.63
    2-(2-methoxypropoxy) propanol 31.66
    mesitylene 0.67
    ε-caprolactone 71.65
    p-cymene 0.45
    epichlorohydrin 269.87
    1,1,1-trichloroethane 3.48
    2-aminoethanol 279.65
    morpholine-4-carbaldehyde 258.74
    sulfolane 341.71
    2,2,4-trimethylpentane 0.19
    2-methyltetrahydrofuran 245.38
    n-hexyl acetate 13.03
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 68.55
    sec-butyl acetate 5.93
    tert-butyl acetate 20.94
    decalin 0.14
    glycerin 309.02
    diglyme 116.35
    acrylic acid 106.33
    isopropyl myristate 4.77
    n-butyric acid 76.74
    acetyl acetate 17.3
    di(2-ethylhexyl) phthalate 2.4
    ethyl propionate 15.4
    nitromethane 562.25
    1,2-diethoxyethane 43.6
    benzonitrile 3.66
    trioctyl phosphate 3.33
    1-bromopropane 8.2
    gamma-valerolactone 451.94
    n-decanol 11.24
    triethyl phosphate 1.75
    4-methyl-2-pentanol 6.65
    propionitrile 26.26
    vinylene carbonate 16.67
    1,1,2-trichlorotrifluoroethane 92.45
    DMS 8.08
    cumene 0.53
    2-octanol 8.59
    2-hexanone 25.25
    octyl acetate 9.56
    limonene 1.04
    1,2-dimethoxyethane 269.35
    ethyl orthosilicate 1.95
    tributyl phosphate 2.32
    diacetone alcohol 72.37
    N,N-dimethylaniline 5.72
    acrylonitrile 35.29
    aniline 25.79
    1,3-propanediol 353.15
    bromobenzene 0.78
    dibromomethane 4.76
    1,1,2,2-tetrachloroethane 17.59
    2-methyl-cyclohexyl acetate 1.96
    tetrabutyl urea 7.67
    diisobutyl methanol 1.53
    2-phenylethanol 5.69
    styrene 1.92
    dioctyl adipate 6.71
    dimethyl sulfate 70.18
    ethyl butyrate 5.61
    methyl lactate 80.69
    butyl lactate 9.99
    diethyl carbonate 2.27
    propanediol butyl ether 48.48
    triethyl orthoformate 4.88
    p-tert-butyltoluene 0.55
    methyl 4-tert-butylbenzoate 8.88
    morpholine 596.65
    tert-butylamine 25.98
    n-dodecanol 7.69
    dimethoxymethane 541.71
    ethylene carbonate 17.31
    cyrene 30.66
    2-ethoxyethyl acetate 25.49
    2-ethylhexyl acetate 1.59
    1,2,4-trichlorobenzene 1.45
    4-methylpyridine 38.11
    dibutyl ether 14.06
    2,6-dimethyl-4-heptanol 1.53
    DEF 97.11
    dimethyl isosorbide 20.75
    tetrachloroethylene 8.21
    eugenol 8.33
    triacetin 11.4
    span 80 27.24
    1,4-butanediol 91.06
    1,1-dichloroethane 9.93
    2-methyl-1-pentanol 13.16
    methyl formate 225.5
    2-methyl-1-butanol 34.21
    n-decane 0.88
    butyronitrile 19.34
    3,7-dimethyl-1-octanol 4.7
    1-chlorooctane 2.94
    1-chlorotetradecane 1.13
    n-nonane 0.78
    undecane 0.6
    tert-butylcyclohexane 0.09
    cyclooctane 0.37
    cyclopentanol 143.56
    tetrahydropyran 219.07
    tert-amyl methyl ether 34.42
    2,5,8-trioxanonane 76.42
    1-hexene 2.69
    2-isopropoxyethanol 108.98
    2,2,2-trifluoroethanol 69.14
    methyl butyrate 19.15

    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