5-Hydroxy-7-(4'-hydroxy-3'-methoxyphenyl)-1-phenyl-3-heptanone

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  • Identifiers

    CAS number
    79559-61-8

    Molecular formula
    C20H24O4

    SMILES
    COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC=CC=C2)O)O

    Safety labels

  • Odor profile

    Fragrance
    Sweet 58.02%
    Spicy 43.77%
    Vanilla 42.18%
    Balsamic 40.5%
    Floral 34.19%
    Fruity 31.48%
    Powdery 26.79%
    Creamy 26.78%
    Warm 24.48%
    Savory 24.39%

     

    Flavor
    Sweet 49.56%
    Mild 35.31%
    Floral 34.02%
    Woody 32.02%
    Fruity 29.73%
    Odorless 28.7%
    Spicy 28.47%
    Bitter 26.71%
    Herbal 24.98%
    Balsam 23.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.81 (weak base)

    Molecular weight
    328.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    558°C

    Flash point

    • 205.67 ˚C est.

  • Synonyms

    • 79559-61-8
    • 5-hydroxy-7-(4'-hydroxy-3'-methoxyphenyl)-1-phenyl-3-heptanone
    • DTXSID901179807
    • HPH cpd
    • RefChem:913434
    • DTXCID601464611
    • 5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone
    • 5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylheptan-3-one
    • 5-Hydroxy-7-(4''-hydroxy-3''-methoxyphenyl)-1-phenyl-3-heptanone
    • 5-Hydroxy-7-(4'-hydroxy-3'-methoxyphenyl)-1-phenyl-3-heptanone (DHPA)
    • diarylheptanoid A
    • 5-HPH
    • SCHEMBL32090
    • 5r-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone
    • MLS000876942
    • (R)-5-Hydroxy-7-(4-hydroxy- 3-methoxyphenyl)-1-phenylheptan-3-one
    • MEGxp0_001107
    • orb1683437
    • CHEMBL1506910
    • SCHEMBL29908853
    • ACon1_001241
    • CHEBI:121564
    • GLXC-20056
    • HMS2270I16
    • TCA62273
    • AKOS027339733
    • FS-8247
    • NCGC00169542-01
    • SMR000440596
    • DB-296135
    • CS-0139031
    • F11845
    • 559H618
    • BRD-A48753142-001-01-2
    • Q27210123
    • 5-hydroxy-1-phenyl-7-(4-hydroxy-3-methoxylphenyl)-3-heptanone
    • 1-Phenyl-5-hydroxy-7- (4''-hydroxy-3''-methoxyphenyl) heptane-3-one
    • 1-phenyl-5-hydroxy-7-(4''-hydroxy-3''-methoxyphenyl) heptane-3-one
    • 5-Hydroxy-7-(4a(2)-hydroxy-3a(2)-methoxyphenyl)-1-phenyl-3-heptanone
    • 5-Hydroxy-7-(4 inverted exclamation marka-hydroxy-3 inverted exclamation marka-methoxyphenyl)-1-phenyl-3-heptanone
    • 79559-61-8

  • Applications

    5-Hydroxy-7-(4'-hydroxy-3'-methoxyphenyl)-1-phenyl-3-heptanone is an aromatic ketone that may be used across fragrance and cosmetic applications. It may be used as a fragrance ingredient or aroma intermediate in perfume and personal care products, and may be viewed as a useful intermediate for the synthesis of other fragrance compounds. Additionally, given its odor-related properties and functional scaffold, it could be incorporated into household products such as cleaners, air fresheners, or personal care items to modulate scents. In coatings and inks, it may serve as a fragrance additive or aromatic intermediate for specialized formulations. Applications in polymers/plastics may be explored where it functions as a fragrance additive for particular polymer systems, depending on regulatory constraints and formulation requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 70.01
    methanol 147.96
    isopropanol 35.05
    water 0.11
    ethyl acetate 37.14
    n-propanol 44.58
    acetone 222.92
    n-butanol 24.99
    acetonitrile 37.24
    DMF 122.59
    toluene 7.1
    isobutanol 18.59
    1,4-dioxane 152.92
    methyl acetate 46.28
    THF 616.93
    2-butanone 69.67
    n-pentanol 22.18
    sec-butanol 22.25
    n-hexane 0.14
    ethylene glycol 26.9
    NMP 38.6
    cyclohexane 0.35
    DMSO 1637.74
    n-butyl acetate 12.13
    n-octanol 9.99
    chloroform 56.34
    n-propyl acetate 18.85
    acetic acid 117.27
    dichloromethane 61.67
    cyclohexanone 76.22
    propylene glycol 60.74
    isopropyl acetate 21.37
    DMAc 220.01
    2-ethoxyethanol 116.13
    isopentanol 18.49
    n-heptane 0.3
    ethyl formate 28.13
    1,2-dichloroethane 57.28
    n-hexanol 14.81
    2-methoxyethanol 215.56
    isobutyl acetate 12.58
    tetrachloromethane 3.09
    n-pentyl acetate 11.34
    transcutol 279.77
    n-heptanol 10.74
    ethylbenzene 4.09
    MIBK 26.69
    2-propoxyethanol 75.81
    tert-butanol 52.62
    MTBE 18.38
    2-butoxyethanol 41.07
    propionic acid 41.04
    o-xylene 4.43
    formic acid 56.7
    diethyl ether 12.14
    m-xylene 4.0
    p-xylene 4.86
    chlorobenzene 12.82
    dimethyl carbonate 30.32
    n-octane 0.27
    formamide 117.86
    cyclopentanone 152.87
    2-pentanone 42.22
    anisole 25.91
    cyclopentyl methyl ether 30.94
    gamma-butyrolactone 121.65
    1-methoxy-2-propanol 126.26
    pyridine 52.41
    3-pentanone 23.43
    furfural 83.46
    n-dodecane 0.44
    diethylene glycol 90.67
    diisopropyl ether 2.84
    tert-amyl alcohol 27.97
    acetylacetone 104.94
    n-hexadecane 0.51
    acetophenone 29.14
    methyl propionate 34.73
    isopentyl acetate 15.27
    trichloroethylene 97.08
    n-nonanol 10.71
    cyclohexanol 18.79
    benzyl alcohol 29.31
    2-ethylhexanol 8.1
    isooctanol 9.87
    dipropyl ether 8.6
    1,2-dichlorobenzene 13.83
    ethyl lactate 24.88
    propylene carbonate 39.29
    n-methylformamide 67.44
    2-pentanol 10.37
    n-pentane 0.08
    1-propoxy-2-propanol 42.92
    1-methoxy-2-propyl acetate 37.68
    2-(2-methoxypropoxy) propanol 49.73
    mesitylene 2.56
    ε-caprolactone 45.39
    p-cymene 3.46
    epichlorohydrin 187.63
    1,1,1-trichloroethane 20.66
    2-aminoethanol 55.33
    morpholine-4-carbaldehyde 91.05
    sulfolane 186.57
    2,2,4-trimethylpentane 0.31
    2-methyltetrahydrofuran 60.22
    n-hexyl acetate 17.64
    isooctane 0.23
    2-(2-butoxyethoxy)ethanol 68.46
    sec-butyl acetate 12.03
    tert-butyl acetate 29.41
    decalin 0.53
    glycerin 90.71
    diglyme 145.47
    acrylic acid 41.59
    isopropyl myristate 9.04
    n-butyric acid 42.39
    acetyl acetate 31.46
    di(2-ethylhexyl) phthalate 13.03
    ethyl propionate 17.06
    nitromethane 253.74
    1,2-diethoxyethane 40.67
    benzonitrile 21.65
    trioctyl phosphate 8.42
    1-bromopropane 8.74
    gamma-valerolactone 149.15
    n-decanol 8.03
    triethyl phosphate 12.93
    4-methyl-2-pentanol 8.63
    propionitrile 23.15
    vinylene carbonate 36.42
    1,1,2-trichlorotrifluoroethane 116.27
    DMS 24.68
    cumene 3.18
    2-octanol 5.85
    2-hexanone 25.3
    octyl acetate 11.37
    limonene 4.53
    1,2-dimethoxyethane 157.37
    ethyl orthosilicate 12.18
    tributyl phosphate 10.5
    diacetone alcohol 62.3
    N,N-dimethylaniline 14.62
    acrylonitrile 38.88
    aniline 19.47
    1,3-propanediol 82.65
    bromobenzene 9.78
    dibromomethane 24.73
    1,1,2,2-tetrachloroethane 82.95
    2-methyl-cyclohexyl acetate 17.88
    tetrabutyl urea 16.37
    diisobutyl methanol 6.06
    2-phenylethanol 21.98
    styrene 5.65
    dioctyl adipate 19.66
    dimethyl sulfate 63.23
    ethyl butyrate 13.52
    methyl lactate 41.83
    butyl lactate 19.31
    diethyl carbonate 12.68
    propanediol butyl ether 39.39
    triethyl orthoformate 14.54
    p-tert-butyltoluene 3.26
    methyl 4-tert-butylbenzoate 32.34
    morpholine 160.32
    tert-butylamine 11.2
    n-dodecanol 5.96
    dimethoxymethane 148.89
    ethylene carbonate 30.32
    cyrene 49.69
    2-ethoxyethyl acetate 29.5
    2-ethylhexyl acetate 9.71
    1,2,4-trichlorobenzene 18.3
    4-methylpyridine 28.53
    dibutyl ether 10.51
    2,6-dimethyl-4-heptanol 6.06
    DEF 34.51
    dimethyl isosorbide 78.62
    tetrachloroethylene 38.92
    eugenol 35.11
    triacetin 35.4
    span 80 32.66
    1,4-butanediol 32.57
    1,1-dichloroethane 23.96
    2-methyl-1-pentanol 17.16
    methyl formate 64.55
    2-methyl-1-butanol 15.61
    n-decane 0.71
    butyronitrile 20.11
    3,7-dimethyl-1-octanol 10.48
    1-chlorooctane 4.36
    1-chlorotetradecane 1.86
    n-nonane 0.52
    undecane 0.54
    tert-butylcyclohexane 0.47
    cyclooctane 0.15
    cyclopentanol 27.28
    tetrahydropyran 71.97
    tert-amyl methyl ether 12.65
    2,5,8-trioxanonane 105.51
    1-hexene 1.31
    2-isopropoxyethanol 57.16
    2,2,2-trifluoroethanol 34.35
    methyl butyrate 24.11

    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