Morachalcone A

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  • Identifiers

    CAS number
    76472-88-3

    Molecular formula
    C20H20O5

    SMILES
    CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=C(C=C(C=C2)O)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Spicy 44.11%
    Phenolic 43.39%
    Sweet 36.38%
    Odorless 34.53%
    Balsamic 32.95%
    Fruity 27.31%
    Woody 26.78%
    Bitter 24.75%
    Burnt 24.49%
    Smoky 24.32%

     

    Flavor
    Bitter 93.31%
    Odorless 26.85%
    Cedarleaf 20.11%
    Nitrile 19.93%
    Lovage 19.87%
    Bland 19.43%
    Parsley 19.11%
    Sweet-like 19.1%
    Broom 18.77%
    Very strong 18.76%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.7

    pKa est.
    10.69 (weak base)

    Molecular weight
    340.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    680°C

    Melting point expt.

    • 204 - 205 °C

    Flash point

    • 245.6 ˚C est.

  • Synonyms

    • MORACHALCONE A
    • 76472-88-3
    • (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
    • KRR4CUV7BP
    • DTXSID901317253
    • (E)-1-(2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl)-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
    • RefChem:159685
    • DTXCID201747075
    • (2E)-1-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one
    • CHEMBL465880
    • MorachalconeA
    • 2,4,2',4'-tetrahydroxy-3'-prenylchalcone
    • orb1682085
    • SCHEMBL6818973
    • CHEBI:174576
    • GLXC-18533
    • HY-N3246
    • BDBM50251013
    • LMPK12120119
    • AKOS040762067
    • FS-9018
    • (2E)-1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
    • DA-75679
    • CS-0023710
    • 2,4,2'',4''-tetrahydroxy-3''-prenylchalcone
    • 2,4,2',4'-tetrahydroxy-3'-(3-methyl-2-butenyl)-chalcone
    • 2-Propen-1-one, 1-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-(2,4-dihydroxyphenyl)-
    • 1-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one
    • 2-Propen-1-one, 1-[2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(2,4-dihydroxyphenyl)-, (2E)-
    • 2-Propen-1-one, 1-[2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl]-3-(2,4-dihydroxyphenyl)-, (E)-
    • 3-(2,4-BIS(OXIDANYL)PHENYL)-1-(3-(3-METHYLBUT-2-ENYL)-2,4-BIS(OXIDANYL)PHENYL)PROP-2-EN-1-ONE
    • 76472-88-3

  • Applications

    Morachalcone A (CAS 76472-88-3) is a diaryl chalcone-type natural product predominantly considered as a specialized chemical intermediate and a fragrance-building block. In practical terms, it is commonly evaluated as an odorant in perfumery and as a flavor/aroma component in flavor chemistry, and it is sometimes used as a fragrance ingredient in cosmetics and personal care formulations. As a synthetic intermediate, it can serve in organic synthesis for pharmaceutical or agrochemical research. Chalcone frameworks can exhibit UV-absorbing and antioxidant properties, so Morachalcone A is occasionally investigated for use in polymers or coatings formulations to enhance stability. In specialty coatings and inks, it may function as a reactive intermediate or additive under appropriate formulation constraints. All applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 41.64
    methanol 75.63
    isopropanol 33.35
    water 0.04
    ethyl acetate 36.66
    n-propanol 43.1
    acetone 102.69
    n-butanol 25.17
    acetonitrile 22.8
    DMF 192.43
    toluene 1.62
    isobutanol 16.38
    1,4-dioxane 106.18
    methyl acetate 50.57
    THF 528.21
    2-butanone 82.76
    n-pentanol 18.36
    sec-butanol 24.84
    n-hexane 0.1
    ethylene glycol 18.75
    NMP 76.24
    cyclohexane 0.1
    DMSO 549.15
    n-butyl acetate 12.42
    n-octanol 6.89
    chloroform 2.79
    n-propyl acetate 15.32
    acetic acid 76.88
    dichloromethane 2.32
    cyclohexanone 45.58
    propylene glycol 93.68
    isopropyl acetate 23.48
    DMAc 233.98
    2-ethoxyethanol 118.62
    isopentanol 17.83
    n-heptane 0.15
    ethyl formate 17.4
    1,2-dichloroethane 4.72
    n-hexanol 9.44
    2-methoxyethanol 360.51
    isobutyl acetate 8.85
    tetrachloromethane 0.36
    n-pentyl acetate 10.77
    transcutol 319.26
    n-heptanol 8.04
    ethylbenzene 1.18
    MIBK 24.19
    2-propoxyethanol 122.88
    tert-butanol 53.52
    MTBE 19.44
    2-butoxyethanol 46.33
    propionic acid 37.32
    o-xylene 1.22
    formic acid 37.32
    diethyl ether 13.21
    m-xylene 1.31
    p-xylene 1.6
    chlorobenzene 1.93
    dimethyl carbonate 32.3
    n-octane 0.1
    formamide 117.44
    cyclopentanone 137.51
    2-pentanone 42.03
    anisole 14.45
    cyclopentyl methyl ether 25.59
    gamma-butyrolactone 133.02
    1-methoxy-2-propanol 284.45
    pyridine 27.95
    3-pentanone 21.72
    furfural 57.32
    n-dodecane 0.15
    diethylene glycol 112.64
    diisopropyl ether 2.56
    tert-amyl alcohol 32.11
    acetylacetone 95.62
    n-hexadecane 0.17
    acetophenone 15.09
    methyl propionate 46.72
    isopentyl acetate 14.33
    trichloroethylene 11.97
    n-nonanol 7.72
    cyclohexanol 10.26
    benzyl alcohol 14.51
    2-ethylhexanol 4.82
    isooctanol 6.53
    dipropyl ether 9.36
    1,2-dichlorobenzene 2.11
    ethyl lactate 23.4
    propylene carbonate 32.62
    n-methylformamide 87.64
    2-pentanol 12.97
    n-pentane 0.08
    1-propoxy-2-propanol 75.3
    1-methoxy-2-propyl acetate 54.54
    2-(2-methoxypropoxy) propanol 57.83
    mesitylene 0.96
    ε-caprolactone 42.4
    p-cymene 1.25
    epichlorohydrin 153.02
    1,1,1-trichloroethane 2.96
    2-aminoethanol 67.77
    morpholine-4-carbaldehyde 129.21
    sulfolane 203.0
    2,2,4-trimethylpentane 0.14
    2-methyltetrahydrofuran 66.78
    n-hexyl acetate 16.44
    isooctane 0.12
    2-(2-butoxyethoxy)ethanol 96.05
    sec-butyl acetate 11.47
    tert-butyl acetate 37.54
    decalin 0.13
    glycerin 139.15
    diglyme 150.86
    acrylic acid 34.5
    isopropyl myristate 6.98
    n-butyric acid 39.58
    acetyl acetate 21.06
    di(2-ethylhexyl) phthalate 9.25
    ethyl propionate 17.54
    nitromethane 208.85
    1,2-diethoxyethane 46.17
    benzonitrile 6.96
    trioctyl phosphate 6.33
    1-bromopropane 1.54
    gamma-valerolactone 206.91
    n-decanol 5.56
    triethyl phosphate 9.0
    4-methyl-2-pentanol 8.18
    propionitrile 16.54
    vinylene carbonate 21.69
    1,1,2-trichlorotrifluoroethane 89.17
    DMS 21.32
    cumene 0.98
    2-octanol 4.65
    2-hexanone 21.19
    octyl acetate 9.54
    limonene 1.6
    1,2-dimethoxyethane 140.75
    ethyl orthosilicate 8.82
    tributyl phosphate 7.29
    diacetone alcohol 98.29
    N,N-dimethylaniline 8.02
    acrylonitrile 26.95
    aniline 8.13
    1,3-propanediol 98.48
    bromobenzene 1.35
    dibromomethane 1.14
    1,1,2,2-tetrachloroethane 12.22
    2-methyl-cyclohexyl acetate 12.47
    tetrabutyl urea 11.59
    diisobutyl methanol 5.05
    2-phenylethanol 14.64
    styrene 1.41
    dioctyl adipate 13.98
    dimethyl sulfate 59.78
    ethyl butyrate 12.4
    methyl lactate 67.16
    butyl lactate 19.99
    diethyl carbonate 9.12
    propanediol butyl ether 51.26
    triethyl orthoformate 14.38
    p-tert-butyltoluene 1.55
    methyl 4-tert-butylbenzoate 24.79
    morpholine 184.41
    tert-butylamine 9.44
    n-dodecanol 3.78
    dimethoxymethane 205.68
    ethylene carbonate 17.69
    cyrene 53.41
    2-ethoxyethyl acetate 30.86
    2-ethylhexyl acetate 8.53
    1,2,4-trichlorobenzene 3.98
    4-methylpyridine 15.9
    dibutyl ether 8.27
    2,6-dimethyl-4-heptanol 5.05
    DEF 39.89
    dimethyl isosorbide 109.21
    tetrachloroethylene 4.51
    eugenol 28.63
    triacetin 30.42
    span 80 37.69
    1,4-butanediol 21.13
    1,1-dichloroethane 2.72
    2-methyl-1-pentanol 13.16
    methyl formate 57.25
    2-methyl-1-butanol 15.28
    n-decane 0.23
    butyronitrile 13.11
    3,7-dimethyl-1-octanol 7.23
    1-chlorooctane 1.42
    1-chlorotetradecane 0.7
    n-nonane 0.17
    undecane 0.18
    tert-butylcyclohexane 0.16
    cyclooctane 0.05
    cyclopentanol 24.54
    tetrahydropyran 37.83
    tert-amyl methyl ether 14.54
    2,5,8-trioxanonane 108.44
    1-hexene 0.76
    2-isopropoxyethanol 57.44
    2,2,2-trifluoroethanol 16.07
    methyl butyrate 20.33

    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