Honyucitrin

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  • Identifiers

    CAS number
    114542-44-8

    Molecular formula
    C25H26O5

    SMILES
    CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 47.27%
    Phenolic 39.76%
    Spicy 39.0%
    Woody 30.49%
    Dry 27.22%
    Animal 25.35%
    Burnt 23.99%
    Smoky 22.64%
    Leathery 21.99%
    Herbal 21.47%

     

    Flavor
    Bitter 82.9%
    Parsley 20.05%
    Cedarleaf 19.91%
    Lovage 19.76%
    Nitrile 18.99%
    Heather 18.99%
    Broom 18.84%
    Thymol 18.72%
    Genet 18.63%
    Oriental 18.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    10.07 (weak base)

    Molecular weight
    406.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    790°C

    Melting point expt.

    • 199.5 - 201 °C

    Flash point

    • 239.15 ˚C est.

  • Synonyms

    • Honyucitrin
    • 2YC2S8ZYT4
    • 5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]chromen-4-one
    • 5,7-Dihydroxy-2-(4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl)chromen-4-one
    • 2-(3,5-Bis(3-methylbut-2-enyl)-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one
    • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl)-
    • 5,7-Dihydroxy-2-(4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl)-4H-1-benzopyran-4-one
    • 5,7-Dihydroxy-2-[4-hydroxy-3,5-bis(3-methyl-2-buten-1-yl)phenyl]-4H-1-benzopyran-4-one
    • 5,7-Dihydroxy-2-[4-hydroxy-3,5-bis(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one, 9CI
    • 5,7-Dihydroxy-2-(4-hydroxy-3,5-bis(3-methyl-2-butenyl)phenyl)-4H-1-benzopyran-4-one, 9ci
    • RefChem:146799
    • 114542-44-8
    • starbld0000808
    • UNII-2YC2S8ZYT4
    • orb1682413
    • SCHEMBL21777672
    • CHEBI:175255
    • DTXSID601126554
    • PEA54244
    • LMPK12110410
    • AKOS040761843
    • FS-9391
    • CS-0024497
    • F92986
    • 5,7-Dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-4H-1-benzopyran-4-one
    • 114542-44-8

  • Applications

    Honyucitrin, CAS 114542-44-8, is regarded as a fragrance-related compound and may be used as a scent component in professional applications; typical uses include as a fragrance ingredient in perfumery and cosmetics, evaluation for household products and cleaners, as an odorant additive in coatings and inks, and as an intermediate or additive in polymer and plastics formulations; it may also be considered for odor-control applications in industrial manufacturing; use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.85
    methanol 2.63
    isopropanol 2.49
    water 0.0
    ethyl acetate 3.63
    n-propanol 4.16
    acetone 7.59
    n-butanol 2.76
    acetonitrile 2.2
    DMF 57.66
    toluene 1.11
    isobutanol 2.88
    1,4-dioxane 11.95
    methyl acetate 8.26
    THF 62.49
    2-butanone 13.21
    n-pentanol 2.87
    sec-butanol 3.73
    n-hexane 0.04
    ethylene glycol 1.28
    NMP 64.61
    cyclohexane 0.03
    DMSO 91.23
    n-butyl acetate 4.7
    n-octanol 1.5
    chloroform 8.13
    n-propyl acetate 4.7
    acetic acid 12.68
    dichloromethane 6.44
    cyclohexanone 14.5
    propylene glycol 6.62
    isopropyl acetate 3.25
    DMAc 105.76
    2-ethoxyethanol 15.75
    isopentanol 2.69
    n-heptane 0.04
    ethyl formate 2.84
    1,2-dichloroethane 4.75
    n-hexanol 1.78
    2-methoxyethanol 28.88
    isobutyl acetate 3.92
    tetrachloromethane 0.3
    n-pentyl acetate 5.1
    transcutol 97.87
    n-heptanol 1.91
    ethylbenzene 0.55
    MIBK 3.93
    2-propoxyethanol 23.45
    tert-butanol 3.42
    MTBE 2.89
    2-butoxyethanol 12.98
    propionic acid 7.91
    o-xylene 0.66
    formic acid 3.53
    diethyl ether 1.43
    m-xylene 0.65
    p-xylene 0.91
    chlorobenzene 1.76
    dimethyl carbonate 6.77
    n-octane 0.02
    formamide 5.86
    cyclopentanone 38.67
    2-pentanone 5.65
    anisole 4.08
    cyclopentyl methyl ether 6.2
    gamma-butyrolactone 43.57
    1-methoxy-2-propanol 28.1
    pyridine 14.93
    3-pentanone 4.62
    furfural 27.43
    n-dodecane 0.03
    diethylene glycol 15.34
    diisopropyl ether 0.42
    tert-amyl alcohol 3.97
    acetylacetone 11.62
    n-hexadecane 0.04
    acetophenone 6.7
    methyl propionate 7.82
    isopentyl acetate 5.91
    trichloroethylene 19.22
    n-nonanol 1.78
    cyclohexanol 2.32
    benzyl alcohol 4.89
    2-ethylhexanol 1.33
    isooctanol 1.94
    dipropyl ether 2.07
    1,2-dichlorobenzene 1.96
    ethyl lactate 6.63
    propylene carbonate 11.75
    n-methylformamide 11.37
    2-pentanol 1.68
    n-pentane 0.03
    1-propoxy-2-propanol 18.51
    1-methoxy-2-propyl acetate 17.85
    2-(2-methoxypropoxy) propanol 22.06
    mesitylene 0.29
    ε-caprolactone 16.58
    p-cymene 0.58
    epichlorohydrin 61.45
    1,1,1-trichloroethane 2.7
    2-aminoethanol 4.23
    morpholine-4-carbaldehyde 63.34
    sulfolane 89.4
    2,2,4-trimethylpentane 0.05
    2-methyltetrahydrofuran 13.85
    n-hexyl acetate 5.85
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 25.38
    sec-butyl acetate 3.52
    tert-butyl acetate 5.5
    decalin 0.05
    glycerin 13.8
    diglyme 47.47
    acrylic acid 9.55
    isopropyl myristate 2.19
    n-butyric acid 7.14
    acetyl acetate 3.25
    di(2-ethylhexyl) phthalate 4.3
    ethyl propionate 4.25
    nitromethane 29.76
    1,2-diethoxyethane 11.04
    benzonitrile 3.37
    trioctyl phosphate 2.31
    1-bromopropane 1.38
    gamma-valerolactone 76.56
    n-decanol 1.2
    triethyl phosphate 3.57
    4-methyl-2-pentanol 1.26
    propionitrile 2.78
    vinylene carbonate 9.92
    1,1,2-trichlorotrifluoroethane 53.08
    DMS 10.53
    cumene 0.45
    2-octanol 1.2
    2-hexanone 5.85
    octyl acetate 2.95
    limonene 0.72
    1,2-dimethoxyethane 24.68
    ethyl orthosilicate 3.16
    tributyl phosphate 3.07
    diacetone alcohol 15.27
    N,N-dimethylaniline 3.3
    acrylonitrile 5.4
    aniline 3.85
    1,3-propanediol 6.62
    bromobenzene 1.42
    dibromomethane 2.38
    1,1,2,2-tetrachloroethane 16.75
    2-methyl-cyclohexyl acetate 5.22
    tetrabutyl urea 5.41
    diisobutyl methanol 1.11
    2-phenylethanol 5.06
    styrene 0.68
    dioctyl adipate 5.55
    dimethyl sulfate 20.77
    ethyl butyrate 3.93
    methyl lactate 12.93
    butyl lactate 9.72
    diethyl carbonate 2.83
    propanediol butyl ether 14.68
    triethyl orthoformate 5.09
    p-tert-butyltoluene 0.62
    methyl 4-tert-butylbenzoate 11.19
    morpholine 26.6
    tert-butylamine 0.96
    n-dodecanol 0.8
    dimethoxymethane 21.35
    ethylene carbonate 6.16
    cyrene 22.36
    2-ethoxyethyl acetate 14.66
    2-ethylhexyl acetate 4.08
    1,2,4-trichlorobenzene 4.8
    4-methylpyridine 9.69
    dibutyl ether 1.96
    2,6-dimethyl-4-heptanol 1.11
    DEF 11.68
    dimethyl isosorbide 42.4
    tetrachloroethylene 5.28
    eugenol 12.45
    triacetin 14.85
    span 80 14.83
    1,4-butanediol 2.18
    1,1-dichloroethane 2.68
    2-methyl-1-pentanol 2.92
    methyl formate 7.94
    2-methyl-1-butanol 3.02
    n-decane 0.05
    butyronitrile 2.08
    3,7-dimethyl-1-octanol 1.96
    1-chlorooctane 0.5
    1-chlorotetradecane 0.19
    n-nonane 0.04
    undecane 0.04
    tert-butylcyclohexane 0.06
    cyclooctane 0.01
    cyclopentanol 5.15
    tetrahydropyran 6.22
    tert-amyl methyl ether 2.85
    2,5,8-trioxanonane 32.23
    1-hexene 0.29
    2-isopropoxyethanol 10.22
    2,2,2-trifluoroethanol 3.34
    methyl butyrate 6.32

    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