Eugenitol

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  • Identifiers

    CAS number
    491-48-5

    Molecular formula
    C11H10O4

    SMILES
    CC1=CC(=O)C2=C(O1)C=C(C(=C2O)C)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 59.03%
    Burnt 41.97%
    Odorless 38.53%
    Smoky 31.42%
    Spicy 29.36%
    Medicinal 28.41%
    Sweet 24.56%
    Woody 24.44%
    Caramellic 24.36%
    Roasted 23.12%

     

    Flavor
    Bitter 70.43%
    Phenolic 26.04%
    Mild 23.25%
    Odorless 22.82%
    Eugenol 22.14%
    Flat 21.93%
    Soybean 21.77%
    Shellfish 21.42%
    Cedarleaf 21.41%
    Musty 21.33%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    8.66 (weak base)

    Molecular weight
    206.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    592°C

    Melting point expt.

    • 290 - 292 °C

    Flash point

    • 175.67 ˚C est.

  • Synonyms

    • EUGENITOL
    • 5,7-dihydroxy-2,6-dimethylchromen-4-one
    • 5,7-dihydroxy-2,6-dimethyl-4H-chromen-4-one
    • DTXSID70407683
    • RefChem:921349
    • DTXCID20358535
    • 491-48-5
    • 5,7-Dihydroxy-2,6-dimethyl-4H-1-benzopyran-4-one
    • 5,7-dihydroxy-2,6-dimethylchromone
    • KBio2_001059
    • Spectrum_000579
    • SpecPlus_000031
    • Spectrum2_000749
    • Spectrum3_000183
    • Spectrum4_001500
    • Spectrum5_000239
    • BSPBio_001705
    • KBioGR_002139
    • KBioSS_001059
    • DivK1c_006127
    • SPBio_000738
    • orb1942333
    • CHEMBL3039487
    • SCHEMBL29881346
    • CHEBI:92806
    • KBio1_001071
    • KBio2_003627
    • KBio2_006195
    • KBio3_001205
    • CCG-38991
    • HY-N11528
    • SDCCGMLS-0066844.P001
    • NCGC00179070-01
    • DA-60402
    • CS-0648997
    • 5,7-dihydroxy-2,6-dimethyl-1-benzopyran-4-one
    • BRD-K46068882-001-02-7
    • Q27164567
    • 491-48-5

  • Applications

    Eugenitol (CAS 491-48-5) is used across multiple sectors as an aroma- and flavor-related chemical: in perfumery it serves as a fragrance ingredient and fixative to help stabilize and extend scents; in food processing it functions as a flavoring agent with clove-like notes; in cosmetics and personal care it is used as a fragrance component in products such as soaps, lotions, and shampoos; in household products and cleaning formulations it contributes a characteristic odor; in industrial manufacturing it is employed as an aroma chemical intermediate for the synthesis of vanillin and other aroma compounds; in dental materials it can be present in zinc oxide-eugenol cements as an additive contributing fragrance and formulation stability.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.22
    methanol 9.01
    isopropanol 6.6
    water 0.09
    ethyl acetate 13.82
    n-propanol 6.01
    acetone 25.6
    n-butanol 7.31
    acetonitrile 15.43
    DMF 203.93
    toluene 0.98
    isobutanol 6.89
    1,4-dioxane 42.87
    methyl acetate 22.36
    THF 147.84
    2-butanone 17.29
    n-pentanol 6.79
    sec-butanol 5.35
    n-hexane 0.09
    ethylene glycol 7.62
    NMP 137.67
    cyclohexane 0.1
    DMSO 244.45
    n-butyl acetate 13.02
    n-octanol 5.55
    chloroform 1.82
    n-propyl acetate 14.97
    acetic acid 18.63
    dichloromethane 4.02
    cyclohexanone 37.26
    propylene glycol 8.08
    isopropyl acetate 9.81
    DMAc 126.85
    2-ethoxyethanol 26.84
    isopentanol 10.39
    n-heptane 0.19
    ethyl formate 18.65
    1,2-dichloroethane 5.32
    n-hexanol 7.35
    2-methoxyethanol 74.56
    isobutyl acetate 10.42
    tetrachloromethane 0.49
    n-pentyl acetate 9.82
    transcutol 72.53
    n-heptanol 5.48
    ethylbenzene 1.16
    MIBK 13.7
    2-propoxyethanol 43.96
    tert-butanol 16.21
    MTBE 5.73
    2-butoxyethanol 19.81
    propionic acid 13.02
    o-xylene 1.51
    formic acid 13.89
    diethyl ether 3.37
    m-xylene 1.72
    p-xylene 2.21
    chlorobenzene 2.45
    dimethyl carbonate 22.41
    n-octane 0.11
    formamide 35.11
    cyclopentanone 82.23
    2-pentanone 16.16
    anisole 8.05
    cyclopentyl methyl ether 22.0
    gamma-butyrolactone 112.38
    1-methoxy-2-propanol 50.68
    pyridine 11.99
    3-pentanone 9.28
    furfural 71.36
    n-dodecane 0.21
    diethylene glycol 56.17
    diisopropyl ether 1.45
    tert-amyl alcohol 9.98
    acetylacetone 36.69
    n-hexadecane 0.26
    acetophenone 13.86
    methyl propionate 21.03
    isopentyl acetate 13.24
    trichloroethylene 10.84
    n-nonanol 5.85
    cyclohexanol 8.69
    benzyl alcohol 10.52
    2-ethylhexanol 6.11
    isooctanol 5.4
    dipropyl ether 5.19
    1,2-dichlorobenzene 3.61
    ethyl lactate 15.66
    propylene carbonate 42.57
    n-methylformamide 55.94
    2-pentanol 4.32
    n-pentane 0.05
    1-propoxy-2-propanol 26.73
    1-methoxy-2-propyl acetate 26.16
    2-(2-methoxypropoxy) propanol 25.96
    mesitylene 1.32
    ε-caprolactone 37.14
    p-cymene 2.46
    epichlorohydrin 91.77
    1,1,1-trichloroethane 3.66
    2-aminoethanol 10.17
    morpholine-4-carbaldehyde 121.58
    sulfolane 151.68
    2,2,4-trimethylpentane 0.17
    2-methyltetrahydrofuran 37.08
    n-hexyl acetate 13.15
    isooctane 0.16
    2-(2-butoxyethoxy)ethanol 32.81
    sec-butyl acetate 8.5
    tert-butyl acetate 14.76
    decalin 0.28
    glycerin 30.04
    diglyme 64.27
    acrylic acid 16.68
    isopropyl myristate 5.68
    n-butyric acid 16.92
    acetyl acetate 11.44
    di(2-ethylhexyl) phthalate 9.01
    ethyl propionate 14.56
    nitromethane 90.73
    1,2-diethoxyethane 15.13
    benzonitrile 11.3
    trioctyl phosphate 6.9
    1-bromopropane 1.53
    gamma-valerolactone 121.24
    n-decanol 4.52
    triethyl phosphate 10.23
    4-methyl-2-pentanol 4.84
    propionitrile 10.94
    vinylene carbonate 33.85
    1,1,2-trichlorotrifluoroethane 47.79
    DMS 18.75
    cumene 1.55
    2-octanol 4.04
    2-hexanone 14.81
    octyl acetate 7.56
    limonene 3.14
    1,2-dimethoxyethane 68.32
    ethyl orthosilicate 8.8
    tributyl phosphate 8.22
    diacetone alcohol 33.98
    N,N-dimethylaniline 7.62
    acrylonitrile 20.77
    aniline 5.32
    1,3-propanediol 22.73
    bromobenzene 1.57
    dibromomethane 1.55
    1,1,2,2-tetrachloroethane 8.49
    2-methyl-cyclohexyl acetate 12.63
    tetrabutyl urea 12.72
    diisobutyl methanol 5.01
    2-phenylethanol 11.52
    styrene 1.0
    dioctyl adipate 10.84
    dimethyl sulfate 55.0
    ethyl butyrate 11.51
    methyl lactate 28.03
    butyl lactate 12.07
    diethyl carbonate 9.46
    propanediol butyl ether 19.48
    triethyl orthoformate 10.56
    p-tert-butyltoluene 2.29
    methyl 4-tert-butylbenzoate 17.8
    morpholine 50.9
    tert-butylamine 4.75
    n-dodecanol 3.41
    dimethoxymethane 74.62
    ethylene carbonate 28.06
    cyrene 37.41
    2-ethoxyethyl acetate 18.58
    2-ethylhexyl acetate 9.99
    1,2,4-trichlorobenzene 6.09
    4-methylpyridine 15.6
    dibutyl ether 5.2
    2,6-dimethyl-4-heptanol 5.01
    DEF 30.83
    dimethyl isosorbide 57.48
    tetrachloroethylene 4.07
    eugenol 20.14
    triacetin 16.87
    span 80 16.56
    1,4-butanediol 8.23
    1,1-dichloroethane 2.84
    2-methyl-1-pentanol 8.29
    methyl formate 59.47
    2-methyl-1-butanol 7.72
    n-decane 0.3
    butyronitrile 11.17
    3,7-dimethyl-1-octanol 6.3
    1-chlorooctane 1.8
    1-chlorotetradecane 1.0
    n-nonane 0.22
    undecane 0.26
    tert-butylcyclohexane 0.33
    cyclooctane 0.06
    cyclopentanol 16.71
    tetrahydropyran 15.12
    tert-amyl methyl ether 6.06
    2,5,8-trioxanonane 47.31
    1-hexene 0.58
    2-isopropoxyethanol 19.21
    2,2,2-trifluoroethanol 14.69
    methyl butyrate 21.04

    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