Eugenitin

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  • Identifiers

    CAS number
    480-12-6

    Molecular formula
    C12H12O4

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 57.92%
    Sweet 43.0%
    Burnt 41.93%
    Spicy 38.82%
    Smoky 36.07%
    Woody 33.89%
    Medicinal 30.04%
    Caramellic 28.97%
    Vanilla 27.6%
    Roasted 26.49%

     

    Flavor
    Bitter 57.98%
    Eugenol 22.38%
    Phenolic 22.3%
    Parsley 21.96%
    Ham 20.94%
    Burnt 20.94%
    Flat 20.94%
    Soybean 20.92%
    Allspice 20.75%
    Thymol 20.52%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.04 (weak base)

    Molecular weight
    220.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    510°C

    Melting point expt.

    • 162 °C

    Flash point

    • 153.7 ˚C est.

  • Synonyms

    • Eugenitin
    • 480-12-6
    • 5-hydroxy-7-methoxy-2,6-dimethylchromen-4-one
    • 5-hydroxy-7-methoxy-2,6-dimethyl-4H-chromen-4-one
    • DTXSID30197376
    • RefChem:1085261
    • DTXCID40119867
    • 5-Hydroxy-7-methoxy-2,6-dimethyl-4H-1-Benzopyran-4-one
    • 4H-1-Benzopyran-4-one, 5-hydroxy-7-methoxy-2,6-dimethyl-
    • Eugenetin
    • EUGENITIN(RG)
    • MLS004257385
    • AL8464M7FP
    • orb1944107
    • CHEMBL3104955
    • SCHEMBL29403680
    • CHEBI:67491
    • HY-W663230
    • SMR003082516
    • CS-0746885
    • D85078
    • Q5408353
    • 5-hydroxy-7-methoxy-2,6-dimethyl-4h -1-benzopyran-4-one
    • 480-12-6

  • Applications

    Eugenitin (CAS 480-12-6) is primarily discussed as an aromatic compound used as an intermediate in fragrance chemistry and related applications. It is commonly evaluated as an odorant or fragrance ingredient and can serve as a building block for the synthesis of aroma compounds. In practice, it may be used in cosmetics and personal care formulations as a fragrance component, and in household products to impart scent. In industrial manufacturing, it is sometimes employed as an intermediate for specialty polymers and for coatings/ink formulations, and it can function as a processing aid or additive in polymer and coating systems. Its exact role and limits depend on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.79
    methanol 3.46
    isopropanol 2.47
    water 0.01
    ethyl acetate 11.75
    n-propanol 3.01
    acetone 13.54
    n-butanol 3.19
    acetonitrile 8.66
    DMF 60.67
    toluene 3.11
    isobutanol 3.22
    1,4-dioxane 28.93
    methyl acetate 15.72
    THF 77.12
    2-butanone 13.36
    n-pentanol 2.66
    sec-butanol 2.63
    n-hexane 0.15
    ethylene glycol 2.97
    NMP 87.91
    cyclohexane 0.28
    DMSO 73.52
    n-butyl acetate 9.85
    n-octanol 2.22
    chloroform 20.63
    n-propyl acetate 8.67
    acetic acid 11.43
    dichloromethane 25.2
    cyclohexanone 28.21
    propylene glycol 2.31
    isopropyl acetate 8.08
    DMAc 76.03
    2-ethoxyethanol 10.5
    isopentanol 4.57
    n-heptane 0.18
    ethyl formate 8.66
    1,2-dichloroethane 19.9
    n-hexanol 3.66
    2-methoxyethanol 24.81
    isobutyl acetate 7.23
    tetrachloromethane 2.17
    n-pentyl acetate 5.99
    transcutol 38.34
    n-heptanol 2.53
    ethylbenzene 2.5
    MIBK 9.43
    2-propoxyethanol 19.49
    tert-butanol 6.27
    MTBE 5.21
    2-butoxyethanol 9.36
    propionic acid 7.87
    o-xylene 3.28
    formic acid 6.78
    diethyl ether 3.85
    m-xylene 3.21
    p-xylene 4.03
    chlorobenzene 7.54
    dimethyl carbonate 16.25
    n-octane 0.09
    formamide 13.27
    cyclopentanone 50.39
    2-pentanone 10.47
    anisole 10.23
    cyclopentyl methyl ether 19.73
    gamma-butyrolactone 67.61
    1-methoxy-2-propanol 16.75
    pyridine 18.42
    3-pentanone 9.79
    furfural 57.14
    n-dodecane 0.15
    diethylene glycol 22.5
    diisopropyl ether 1.62
    tert-amyl alcohol 5.16
    acetylacetone 23.29
    n-hexadecane 0.18
    acetophenone 13.07
    methyl propionate 14.88
    isopentyl acetate 11.57
    trichloroethylene 45.97
    n-nonanol 2.51
    cyclohexanol 5.96
    benzyl alcohol 8.34
    2-ethylhexanol 4.07
    isooctanol 2.79
    dipropyl ether 4.27
    1,2-dichlorobenzene 10.63
    ethyl lactate 7.87
    propylene carbonate 29.68
    n-methylformamide 16.83
    2-pentanol 2.1
    n-pentane 0.09
    1-propoxy-2-propanol 12.22
    1-methoxy-2-propyl acetate 18.6
    2-(2-methoxypropoxy) propanol 17.12
    mesitylene 2.18
    ε-caprolactone 26.39
    p-cymene 3.12
    epichlorohydrin 73.59
    1,1,1-trichloroethane 14.36
    2-aminoethanol 3.92
    morpholine-4-carbaldehyde 65.04
    sulfolane 94.17
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 29.67
    n-hexyl acetate 8.17
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 15.42
    sec-butyl acetate 6.78
    tert-butyl acetate 12.61
    decalin 0.53
    glycerin 9.86
    diglyme 37.63
    acrylic acid 10.46
    isopropyl myristate 4.24
    n-butyric acid 9.92
    acetyl acetate 11.15
    di(2-ethylhexyl) phthalate 7.26
    ethyl propionate 11.03
    nitromethane 43.92
    1,2-diethoxyethane 8.38
    benzonitrile 10.61
    trioctyl phosphate 4.58
    1-bromopropane 5.1
    gamma-valerolactone 67.69
    n-decanol 1.99
    triethyl phosphate 10.1
    4-methyl-2-pentanol 2.58
    propionitrile 7.06
    vinylene carbonate 26.52
    1,1,2-trichlorotrifluoroethane 46.26
    DMS 16.4
    cumene 2.57
    2-octanol 1.76
    2-hexanone 9.25
    octyl acetate 5.1
    limonene 3.86
    1,2-dimethoxyethane 29.72
    ethyl orthosilicate 9.02
    tributyl phosphate 6.35
    diacetone alcohol 18.33
    N,N-dimethylaniline 8.99
    acrylonitrile 12.91
    aniline 8.28
    1,3-propanediol 7.68
    bromobenzene 6.72
    dibromomethane 11.71
    1,1,2,2-tetrachloroethane 31.63
    2-methyl-cyclohexyl acetate 12.35
    tetrabutyl urea 8.98
    diisobutyl methanol 3.2
    2-phenylethanol 10.06
    styrene 2.46
    dioctyl adipate 8.37
    dimethyl sulfate 41.25
    ethyl butyrate 9.44
    methyl lactate 12.59
    butyl lactate 6.81
    diethyl carbonate 9.1
    propanediol butyl ether 7.25
    triethyl orthoformate 9.47
    p-tert-butyltoluene 2.92
    methyl 4-tert-butylbenzoate 15.1
    morpholine 32.23
    tert-butylamine 2.69
    n-dodecanol 1.58
    dimethoxymethane 31.7
    ethylene carbonate 20.27
    cyrene 24.35
    2-ethoxyethyl acetate 11.51
    2-ethylhexyl acetate 9.46
    1,2,4-trichlorobenzene 14.63
    4-methylpyridine 18.46
    dibutyl ether 3.15
    2,6-dimethyl-4-heptanol 3.2
    DEF 19.03
    dimethyl isosorbide 39.03
    tetrachloroethylene 18.36
    eugenol 15.17
    triacetin 12.46
    span 80 9.91
    1,4-butanediol 2.55
    1,1-dichloroethane 10.21
    2-methyl-1-pentanol 4.21
    methyl formate 17.59
    2-methyl-1-butanol 3.97
    n-decane 0.21
    butyronitrile 6.42
    3,7-dimethyl-1-octanol 3.27
    1-chlorooctane 1.52
    1-chlorotetradecane 0.79
    n-nonane 0.16
    undecane 0.17
    tert-butylcyclohexane 0.47
    cyclooctane 0.11
    cyclopentanol 9.44
    tetrahydropyran 14.56
    tert-amyl methyl ether 5.54
    2,5,8-trioxanonane 30.65
    1-hexene 0.85
    2-isopropoxyethanol 8.1
    2,2,2-trifluoroethanol 10.59
    methyl butyrate 13.17

    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