Isoeugenitol

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  • Identifiers

    CAS number
    479-06-1

    Molecular formula
    C11H10O4

    SMILES
    CC1=CC(=O)C2=C(C=C(C(=C2O1)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 55.93%
    Odorless 41.33%
    Burnt 40.49%
    Smoky 28.87%
    Spicy 26.55%
    Medicinal 26.0%
    Caramellic 23.56%
    Roasted 23.22%
    Sweet 22.45%
    Woody 22.41%

     

    Flavor
    Bitter 74.91%
    Phenolic 24.61%
    Odorless 23.55%
    Mild 22.37%
    Eugenol 22.08%
    Flat 21.94%
    Soybean 21.64%
    Cedarleaf 21.5%
    Very strong 21.25%
    Parsley 21.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.33 (weak base)

    Molecular weight
    206.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    574°C

    Melting point expt.

    • 229 - 230 °C

    Flash point

    • 174.8 ˚C est.

  • Synonyms

    • Isoeugenitol
    • 479-06-1
    • 5,7-dihydroxy-2,8-dimethyl-4H-chromen-4-one
    • RefChem:149324
    • 5,7-dihydroxy-2,8-dimethylchromone
    • 5,7-Dihydroxy-2,8-dimethyl-4H-1-benzopyran-4-one
    • 5,7-dihydroxy-2,8-dimethylchromen-4-one
    • KBio1_001073
    • Spectrum_000601
    • SpecPlus_000033
    • Spectrum2_000569
    • Spectrum3_000687
    • Spectrum4_001501
    • Spectrum5_000261
    • BSPBio_002413
    • KBioGR_002161
    • KBioSS_001081
    • SPECTRUM200449
    • DivK1c_006129
    • SPBio_000358
    • D6FY6223EN
    • CHEMBL1371435
    • SCHEMBL18517012
    • CHEBI:92103
    • KBio2_001081
    • KBio2_003649
    • KBio2_006217
    • KBio3_001633
    • DTXSID601318026
    • CCG-38735
    • SDCCGMLS-0066885.P001
    • NCGC00095479-01
    • NCGC00095479-02
    • NCGC00178664-01
    • 5,7-dihydroxy-2,8-dimethyl-1-benzopyran-4-one
    • BRD-K05737787-001-02-2
    • Q27163895
    • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2,8-dimethyl-
    • 479-06-1

  • Applications

    Isoeugenitol (CAS 479-06-1) is a phenolic compound used as a fragrance ingredient and as a precursor in the synthesis of aroma chemicals, with relevance to perfumery and cosmetics/personal care. It can serve as an aroma component in fragrance formulations and may function as an intermediate for producing other aroma compounds. Its structural features support consideration as a building block for aroma-related syntheses, and it may be explored for applications in coatings, paints and other material systems where odor is considered. Additional potential uses include employment as a fragrance additive in household products, and broader use in polymer and coating formulations to impart odor characteristics. All uses are subject to formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 22.76
    methanol 34.83
    isopropanol 19.94
    water 0.21
    ethyl acetate 25.25
    n-propanol 21.11
    acetone 80.39
    n-butanol 22.44
    acetonitrile 32.27
    DMF 460.63
    toluene 2.79
    isobutanol 20.04
    1,4-dioxane 63.71
    methyl acetate 38.53
    THF 205.08
    2-butanone 47.31
    n-pentanol 21.69
    sec-butanol 15.65
    n-hexane 0.51
    ethylene glycol 19.8
    NMP 197.27
    cyclohexane 0.38
    DMSO 440.94
    n-butyl acetate 25.1
    n-octanol 14.21
    chloroform 8.78
    n-propyl acetate 29.39
    acetic acid 31.12
    dichloromethane 20.74
    cyclohexanone 73.49
    propylene glycol 17.04
    isopropyl acetate 16.8
    DMAc 187.02
    2-ethoxyethanol 60.01
    isopentanol 21.67
    n-heptane 0.9
    ethyl formate 48.75
    1,2-dichloroethane 19.92
    n-hexanol 23.0
    2-methoxyethanol 132.87
    isobutyl acetate 18.13
    tetrachloromethane 1.6
    n-pentyl acetate 19.76
    transcutol 50.41
    n-heptanol 14.01
    ethylbenzene 3.99
    MIBK 26.85
    2-propoxyethanol 84.5
    tert-butanol 28.09
    MTBE 11.18
    2-butoxyethanol 36.54
    propionic acid 24.65
    o-xylene 3.55
    formic acid 23.29
    diethyl ether 9.34
    m-xylene 4.4
    p-xylene 6.5
    chlorobenzene 7.03
    dimethyl carbonate 30.97
    n-octane 0.57
    formamide 60.62
    cyclopentanone 149.69
    2-pentanone 42.46
    anisole 17.69
    cyclopentyl methyl ether 38.58
    gamma-butyrolactone 171.8
    1-methoxy-2-propanol 86.46
    pyridine 27.23
    3-pentanone 22.76
    furfural 117.96
    n-dodecane 0.81
    diethylene glycol 80.18
    diisopropyl ether 3.16
    tert-amyl alcohol 18.47
    acetylacetone 66.8
    n-hexadecane 0.95
    acetophenone 26.94
    methyl propionate 38.37
    isopentyl acetate 21.06
    trichloroethylene 32.54
    n-nonanol 13.92
    cyclohexanol 17.51
    benzyl alcohol 23.16
    2-ethylhexanol 14.99
    isooctanol 12.39
    dipropyl ether 12.67
    1,2-dichlorobenzene 8.48
    ethyl lactate 27.6
    propylene carbonate 64.07
    n-methylformamide 145.41
    2-pentanol 11.65
    n-pentane 0.32
    1-propoxy-2-propanol 44.4
    1-methoxy-2-propyl acetate 39.23
    2-(2-methoxypropoxy) propanol 32.87
    mesitylene 2.99
    ε-caprolactone 61.6
    p-cymene 6.07
    epichlorohydrin 171.19
    1,1,1-trichloroethane 10.41
    2-aminoethanol 23.44
    morpholine-4-carbaldehyde 172.53
    sulfolane 226.39
    2,2,4-trimethylpentane 0.4
    2-methyltetrahydrofuran 58.72
    n-hexyl acetate 26.32
    isooctane 0.41
    2-(2-butoxyethoxy)ethanol 40.58
    sec-butyl acetate 14.31
    tert-butyl acetate 20.58
    decalin 0.79
    glycerin 37.62
    diglyme 76.24
    acrylic acid 26.58
    isopropyl myristate 11.64
    n-butyric acid 30.85
    acetyl acetate 16.57
    di(2-ethylhexyl) phthalate 15.76
    ethyl propionate 25.04
    nitromethane 138.92
    1,2-diethoxyethane 21.19
    benzonitrile 25.09
    trioctyl phosphate 13.63
    1-bromopropane 6.94
    gamma-valerolactone 195.03
    n-decanol 11.5
    triethyl phosphate 14.17
    4-methyl-2-pentanol 9.23
    propionitrile 27.11
    vinylene carbonate 56.27
    1,1,2-trichlorotrifluoroethane 76.74
    DMS 23.99
    cumene 4.45
    2-octanol 10.15
    2-hexanone 36.42
    octyl acetate 16.24
    limonene 8.0
    1,2-dimethoxyethane 129.28
    ethyl orthosilicate 12.11
    tributyl phosphate 14.46
    diacetone alcohol 47.24
    N,N-dimethylaniline 15.86
    acrylonitrile 46.86
    aniline 9.83
    1,3-propanediol 44.84
    bromobenzene 5.09
    dibromomethane 8.7
    1,1,2,2-tetrachloroethane 23.02
    2-methyl-cyclohexyl acetate 20.72
    tetrabutyl urea 23.93
    diisobutyl methanol 9.19
    2-phenylethanol 24.24
    styrene 3.55
    dioctyl adipate 19.15
    dimethyl sulfate 71.59
    ethyl butyrate 20.24
    methyl lactate 44.3
    butyl lactate 20.91
    diethyl carbonate 13.75
    propanediol butyl ether 30.09
    triethyl orthoformate 15.19
    p-tert-butyltoluene 5.25
    methyl 4-tert-butylbenzoate 30.08
    morpholine 75.55
    tert-butylamine 9.64
    n-dodecanol 8.87
    dimethoxymethane 152.8
    ethylene carbonate 43.94
    cyrene 54.46
    2-ethoxyethyl acetate 27.07
    2-ethylhexyl acetate 16.23
    1,2,4-trichlorobenzene 11.88
    4-methylpyridine 33.14
    dibutyl ether 11.94
    2,6-dimethyl-4-heptanol 9.19
    DEF 66.92
    dimethyl isosorbide 71.55
    tetrachloroethylene 10.88
    eugenol 33.73
    triacetin 22.71
    span 80 25.79
    1,4-butanediol 22.97
    1,1-dichloroethane 11.04
    2-methyl-1-pentanol 18.62
    methyl formate 145.59
    2-methyl-1-butanol 18.25
    n-decane 1.15
    butyronitrile 30.27
    3,7-dimethyl-1-octanol 13.72
    1-chlorooctane 5.97
    1-chlorotetradecane 3.02
    n-nonane 0.91
    undecane 0.98
    tert-butylcyclohexane 0.9
    cyclooctane 0.23
    cyclopentanol 34.64
    tetrahydropyran 29.62
    tert-amyl methyl ether 10.73
    2,5,8-trioxanonane 57.24
    1-hexene 2.98
    2-isopropoxyethanol 37.77
    2,2,2-trifluoroethanol 20.8
    methyl butyrate 41.63

    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