Helichrysetin

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  • Identifiers

    CAS number
    62014-87-3

    Molecular formula
    C16H14O5

    SMILES
    COC1=CC(=CC(=C1C(=O)/C=C/C2=CC=C(C=C2)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 46.97%
    Odorless 43.53%
    Spicy 39.24%
    Balsamic 38.73%
    Sweet 36.85%
    Vanilla 32.23%
    Fruity 26.51%
    Bitter 26.13%
    Burnt 24.35%
    Woody 23.98%

     

    Flavor
    Bitter 90.7%
    Odorless 33.34%
    Bland 21.97%
    Nitrile 20.77%
    Lovage 20.35%
    Cedarleaf 20.18%
    Sweet-like 20.06%
    Parsley 19.99%
    Broom 19.46%
    Very strong 19.41%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    10.02 (weak base)

    Molecular weight
    286.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    565°C

    Flash point

    • 223.7 ˚C est.

  • Synonyms

    • Helichrysetin
    • 62014-87-3
    • (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
    • MJ0KMG7AW4
    • 4,2',4'-Trihydroxy-6'-methoxychalcone
    • DTXSID001317482
    • 1-(2,4-Dihydroxy-6-methoxyphenyl)-3-(4-hydroxyphenyl)-2-propen-1-one
    • RefChem:145474
    • DTXCID001747293
    • MFCD12546716
    • (2E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
    • 1-(2,4-Dihydroxy-6-methoxy-phenyl)-3-(4-hydroxy-phenyl)-propenone
    • (E)-1-(2,4-dihydroxy-6-methoxy-phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
    • 2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-hydroxyphenyl)-, (2E)-
    • helichysetin
    • Helichrysetin (Standard)
    • UNII-MJ0KMG7AW4
    • CHEMBL507998
    • orb1297344
    • SCHEMBL2126372
    • HY-N4058R
    • CHEBI:178332
    • GLXC-10739
    • HY-N4058
    • MCA01487
    • LMPK12120300
    • 2-Propen-1-one, 1-(2,4-dihydroxy-6-methoxyphenyl)-3-(4-hydroxyphenyl)-
    • AKOS032948840
    • EBC-616905
    • DA-74078
    • MS-24082
    • CS-0024563
    • G13798
    • (2E)-1-(2,4-DIHYDROXY-6-METHOXYPHENYL)-3-(4-HYDROXYPHENYL)-2-PROPEN-1-ONE
    • 62014-87-3

  • Applications

    Helichrysetin (CAS 62014-87-3) has potential applications across several chemical industry sectors. In perfumery/fragrance, it can be considered as a fragrance ingredient or component with potential fixation properties. In cosmetics/personal care, it may be explored for antioxidant activity and protective roles in formulations. In polymers/plastics, it is evaluated as an antioxidant stabilizer or additive to enhance polymer durability. In cleaning/household products, it can be used as an antioxidant additive and a mild fragrance contributor. In industrial manufacturing, it may serve as an intermediate or starting material for the synthesis of more complex organic compounds, depending on process conditions and regulatory constraints. These statements reflect general chemical characteristics and require compliance with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 31.44
    methanol 61.53
    isopropanol 33.13
    water 0.01
    ethyl acetate 44.0
    n-propanol 32.01
    acetone 341.02
    n-butanol 24.68
    acetonitrile 62.07
    DMF 391.87
    toluene 2.04
    isobutanol 18.48
    1,4-dioxane 72.04
    methyl acetate 65.51
    THF 1509.47
    2-butanone 129.21
    n-pentanol 19.42
    sec-butanol 22.15
    n-hexane 0.13
    ethylene glycol 35.48
    NMP 149.19
    cyclohexane 0.12
    DMSO 3746.28
    n-butyl acetate 20.99
    n-octanol 8.23
    chloroform 6.02
    n-propyl acetate 25.53
    acetic acid 55.32
    dichloromethane 4.42
    cyclohexanone 80.78
    propylene glycol 85.7
    isopropyl acetate 30.36
    DMAc 333.44
    2-ethoxyethanol 88.19
    isopentanol 21.13
    n-heptane 0.19
    ethyl formate 34.64
    1,2-dichloroethane 11.17
    n-hexanol 14.59
    2-methoxyethanol 291.89
    isobutyl acetate 14.43
    tetrachloromethane 0.85
    n-pentyl acetate 9.58
    transcutol 123.3
    n-heptanol 7.3
    ethylbenzene 1.81
    MIBK 44.83
    2-propoxyethanol 98.0
    tert-butanol 60.95
    MTBE 20.68
    2-butoxyethanol 29.73
    propionic acid 34.25
    o-xylene 1.97
    formic acid 29.61
    diethyl ether 14.36
    m-xylene 2.1
    p-xylene 2.31
    chlorobenzene 2.92
    dimethyl carbonate 50.19
    n-octane 0.11
    formamide 88.42
    cyclopentanone 351.92
    2-pentanone 82.45
    anisole 16.66
    cyclopentyl methyl ether 50.17
    gamma-butyrolactone 272.86
    1-methoxy-2-propanol 209.74
    pyridine 23.56
    3-pentanone 39.75
    furfural 89.93
    n-dodecane 0.31
    diethylene glycol 113.08
    diisopropyl ether 3.94
    tert-amyl alcohol 30.33
    acetylacetone 147.66
    n-hexadecane 0.37
    acetophenone 21.0
    methyl propionate 62.92
    isopentyl acetate 20.33
    trichloroethylene 20.56
    n-nonanol 8.42
    cyclohexanol 16.61
    benzyl alcohol 17.51
    2-ethylhexanol 8.39
    isooctanol 6.63
    dipropyl ether 12.07
    1,2-dichlorobenzene 3.86
    ethyl lactate 33.9
    propylene carbonate 54.04
    n-methylformamide 148.85
    2-pentanol 13.63
    n-pentane 0.09
    1-propoxy-2-propanol 61.45
    1-methoxy-2-propyl acetate 51.14
    2-(2-methoxypropoxy) propanol 47.42
    mesitylene 1.64
    ε-caprolactone 50.71
    p-cymene 2.28
    epichlorohydrin 242.39
    1,1,1-trichloroethane 8.48
    2-aminoethanol 57.61
    morpholine-4-carbaldehyde 114.53
    sulfolane 500.36
    2,2,4-trimethylpentane 0.23
    2-methyltetrahydrofuran 114.38
    n-hexyl acetate 16.51
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 55.58
    sec-butyl acetate 15.8
    tert-butyl acetate 41.3
    decalin 0.27
    glycerin 146.2
    diglyme 100.99
    acrylic acid 34.57
    isopropyl myristate 9.2
    n-butyric acid 36.62
    acetyl acetate 26.31
    di(2-ethylhexyl) phthalate 10.27
    ethyl propionate 28.17
    nitromethane 276.95
    1,2-diethoxyethane 24.63
    benzonitrile 13.67
    trioctyl phosphate 8.8
    1-bromopropane 3.93
    gamma-valerolactone 218.0
    n-decanol 6.81
    triethyl phosphate 15.12
    4-methyl-2-pentanol 10.71
    propionitrile 37.61
    vinylene carbonate 32.58
    1,1,2-trichlorotrifluoroethane 111.89
    DMS 25.19
    cumene 1.72
    2-octanol 4.79
    2-hexanone 38.39
    octyl acetate 11.5
    limonene 3.43
    1,2-dimethoxyethane 137.67
    ethyl orthosilicate 12.36
    tributyl phosphate 11.82
    diacetone alcohol 100.54
    N,N-dimethylaniline 10.96
    acrylonitrile 56.33
    aniline 9.69
    1,3-propanediol 83.64
    bromobenzene 1.99
    dibromomethane 2.64
    1,1,2,2-tetrachloroethane 22.93
    2-methyl-cyclohexyl acetate 16.25
    tetrabutyl urea 18.19
    diisobutyl methanol 7.24
    2-phenylethanol 16.79
    styrene 2.07
    dioctyl adipate 16.53
    dimethyl sulfate 122.71
    ethyl butyrate 19.92
    methyl lactate 83.12
    butyl lactate 18.39
    diethyl carbonate 14.92
    propanediol butyl ether 33.84
    triethyl orthoformate 16.97
    p-tert-butyltoluene 2.42
    methyl 4-tert-butylbenzoate 24.79
    morpholine 121.08
    tert-butylamine 11.69
    n-dodecanol 5.29
    dimethoxymethane 248.4
    ethylene carbonate 29.46
    cyrene 51.51
    2-ethoxyethyl acetate 20.51
    2-ethylhexyl acetate 12.61
    1,2,4-trichlorobenzene 6.44
    4-methylpyridine 21.53
    dibutyl ether 9.13
    2,6-dimethyl-4-heptanol 7.24
    DEF 59.07
    dimethyl isosorbide 85.46
    tetrachloroethylene 8.13
    eugenol 26.63
    triacetin 25.38
    span 80 27.75
    1,4-butanediol 23.51
    1,1-dichloroethane 7.69
    2-methyl-1-pentanol 15.45
    methyl formate 112.88
    2-methyl-1-butanol 16.41
    n-decane 0.43
    butyronitrile 29.51
    3,7-dimethyl-1-octanol 8.9
    1-chlorooctane 2.98
    1-chlorotetradecane 1.48
    n-nonane 0.3
    undecane 0.37
    tert-butylcyclohexane 0.31
    cyclooctane 0.08
    cyclopentanol 41.1
    tetrahydropyran 41.78
    tert-amyl methyl ether 17.13
    2,5,8-trioxanonane 81.92
    1-hexene 1.08
    2-isopropoxyethanol 45.32
    2,2,2-trifluoroethanol 20.07
    methyl butyrate 38.62

    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