Salcolin A

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  • Identifiers

    CAS number
    369390-51-2

    Molecular formula
    C27H26O11

    SMILES
    COC1=CC(=CC(=C1O[C@@H](CO)[C@H](C2=CC(=C(C=C2)O)OC)O)OC)C3=CC(=O)C4=C(C=C(C=C4O3)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 55.54%
    Vanilla 48.8%
    Phenolic 35.89%
    Balsamic 33.0%
    Sweet 32.28%
    Milky 28.83%
    Creamy 28.36%
    Powdery 25.72%
    Fruity 25.24%
    Spicy 25.04%

     

    Flavor
    Bitter 82.16%
    Bland 38.51%
    Odorless 36.38%
    Sweet-like 24.29%
    Parsley 20.67%
    Mild 19.96%
    Eugenol 19.82%
    Cedarleaf 19.59%
    Lovage 19.09%
    Ethyl benzoate 18.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    9.24 (weak base)

    Molecular weight
    526.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    2087°C

    Flash point

    • 278.04 ˚C est.

  • Synonyms

    • Salcolin A
    • DTXSID401318363
    • 369390-51-2
    • RefChem:931160
    • DTXCID401748174
    • (-)-(7''S,8''S)-4'',5,7-trihydroxy-3',3'',5'-trimethoxy-4',8''-oxyflavonolignan-7'',9''-diol
    • SALCOLIN B
    • CHEMBL1224894
    • SCHEMBL29625502
    • CHEBI:67643
    • 2-(4-{[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
    • Tricin 4'-O-(threo-beta-guaiacylglyceryl) ether
    • Q27136114
    • 2-(4-{[(1S,2S)-1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3,5-dimethoxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
    • 2-[4-[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3,5-dimethoxyphenyl]-5,7-dihydroxychromen-4-one
    • 369390-51-2

  • Applications

    Salcolin A, CAS 369390-51-2, is an organic compound that is primarily used as an intermediate and building block in the synthesis of specialty chemicals; in industrial practice, it may be evaluated as a building block in processes for pharmaceutical, agrochemical, and other specialty chemical manufacturing; given that it may have odor-related attributes, it is often assessed in fragrance research as a potential odorant component or fragrance ingredient. Other applications may include use as a constituent in cosmetics/personal care formulations and as a precursor for plastics and polymer materials, serving as a building block in polymer formulations; in coatings, inks, and adhesives sectors it can be considered as a processing intermediate or additive for certain formulations. Note that all applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.09
    methanol 0.45
    isopropanol 0.06
    water 0.0
    ethyl acetate 0.03
    n-propanol 0.2
    acetone 0.09
    n-butanol 0.09
    acetonitrile 0.03
    DMF 4.22
    toluene 0.01
    isobutanol 0.07
    1,4-dioxane 0.57
    methyl acetate 0.09
    THF 0.87
    2-butanone 0.18
    n-pentanol 0.08
    sec-butanol 0.1
    n-hexane 0.0
    ethylene glycol 0.88
    NMP 7.28
    cyclohexane 0.0
    DMSO 8.47
    n-butyl acetate 0.02
    n-octanol 0.07
    chloroform 0.02
    n-propyl acetate 0.04
    acetic acid 0.65
    dichloromethane 0.04
    cyclohexanone 0.3
    propylene glycol 1.11
    isopropyl acetate 0.02
    DMAc 5.57
    2-ethoxyethanol 1.49
    isopentanol 0.05
    n-heptane 0.0
    ethyl formate 0.09
    1,2-dichloroethane 0.04
    n-hexanol 0.03
    2-methoxyethanol 3.54
    isobutyl acetate 0.02
    tetrachloromethane 0.0
    n-pentyl acetate 0.07
    transcutol 2.13
    n-heptanol 0.08
    ethylbenzene 0.01
    MIBK 0.03
    2-propoxyethanol 0.93
    tert-butanol 0.04
    MTBE 0.02
    2-butoxyethanol 0.85
    propionic acid 0.38
    o-xylene 0.01
    formic acid 1.84
    diethyl ether 0.03
    m-xylene 0.0
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 0.17
    n-octane 0.0
    formamide 1.85
    cyclopentanone 0.64
    2-pentanone 0.06
    anisole 0.03
    cyclopentyl methyl ether 0.08
    gamma-butyrolactone 0.91
    1-methoxy-2-propanol 1.51
    pyridine 0.25
    3-pentanone 0.06
    furfural 1.14
    n-dodecane 0.0
    diethylene glycol 1.62
    diisopropyl ether 0.0
    tert-amyl alcohol 0.07
    acetylacetone 0.12
    n-hexadecane 0.0
    acetophenone 0.06
    methyl propionate 0.11
    isopentyl acetate 0.02
    trichloroethylene 0.08
    n-nonanol 0.08
    cyclohexanol 0.07
    benzyl alcohol 0.09
    2-ethylhexanol 0.02
    isooctanol 0.05
    dipropyl ether 0.04
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.19
    propylene carbonate 0.16
    n-methylformamide 1.31
    2-pentanol 0.03
    n-pentane 0.0
    1-propoxy-2-propanol 0.46
    1-methoxy-2-propyl acetate 0.13
    2-(2-methoxypropoxy) propanol 0.8
    mesitylene 0.0
    ε-caprolactone 0.34
    p-cymene 0.0
    epichlorohydrin 0.72
    1,1,1-trichloroethane 0.01
    2-aminoethanol 1.11
    morpholine-4-carbaldehyde 5.52
    sulfolane 4.98
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.16
    n-hexyl acetate 0.09
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.07
    sec-butyl acetate 0.02
    tert-butyl acetate 0.03
    decalin 0.0
    glycerin 5.07
    diglyme 2.17
    acrylic acid 0.77
    isopropyl myristate 0.02
    n-butyric acid 0.16
    acetyl acetate 0.03
    di(2-ethylhexyl) phthalate 0.07
    ethyl propionate 0.04
    nitromethane 1.14
    1,2-diethoxyethane 0.14
    benzonitrile 0.03
    trioctyl phosphate 0.05
    1-bromopropane 0.01
    gamma-valerolactone 3.36
    n-decanol 0.04
    triethyl phosphate 0.05
    4-methyl-2-pentanol 0.01
    propionitrile 0.04
    vinylene carbonate 0.18
    1,1,2-trichlorotrifluoroethane 3.42
    DMS 0.1
    cumene 0.0
    2-octanol 0.04
    2-hexanone 0.06
    octyl acetate 0.05
    limonene 0.01
    1,2-dimethoxyethane 1.35
    ethyl orthosilicate 0.05
    tributyl phosphate 0.05
    diacetone alcohol 0.21
    N,N-dimethylaniline 0.03
    acrylonitrile 0.12
    aniline 0.04
    1,3-propanediol 0.89
    bromobenzene 0.0
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.08
    2-methyl-cyclohexyl acetate 0.04
    tetrabutyl urea 0.12
    diisobutyl methanol 0.01
    2-phenylethanol 0.04
    styrene 0.01
    dioctyl adipate 0.08
    dimethyl sulfate 0.78
    ethyl butyrate 0.04
    methyl lactate 0.73
    butyl lactate 0.23
    diethyl carbonate 0.03
    propanediol butyl ether 1.09
    triethyl orthoformate 0.08
    p-tert-butyltoluene 0.0
    methyl 4-tert-butylbenzoate 0.22
    morpholine 1.24
    tert-butylamine 0.01
    n-dodecanol 0.02
    dimethoxymethane 1.0
    ethylene carbonate 0.11
    cyrene 1.47
    2-ethoxyethyl acetate 0.19
    2-ethylhexyl acetate 0.02
    1,2,4-trichlorobenzene 0.02
    4-methylpyridine 0.08
    dibutyl ether 0.04
    2,6-dimethyl-4-heptanol 0.01
    DEF 0.31
    dimethyl isosorbide 0.97
    tetrachloroethylene 0.06
    eugenol 0.34
    triacetin 0.25
    span 80 0.63
    1,4-butanediol 0.33
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.05
    methyl formate 0.73
    2-methyl-1-butanol 0.08
    n-decane 0.0
    butyronitrile 0.03
    3,7-dimethyl-1-octanol 0.03
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.16
    tetrahydropyran 0.12
    tert-amyl methyl ether 0.03
    2,5,8-trioxanonane 1.39
    1-hexene 0.0
    2-isopropoxyethanol 0.45
    2,2,2-trifluoroethanol 0.39
    methyl butyrate 0.07

    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