Eucalyptin

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  • Identifiers

    CAS number
    3122-88-1

    Molecular formula
    C19H18O5

    SMILES
    CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=C(C=C3)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 63.69%
    Sweet 53.76%
    Spicy 46.85%
    Smoky 42.45%
    Medicinal 36.03%
    Burnt 35.78%
    Woody 35.49%
    Vanilla 34.59%
    Leathery 31.93%
    Powdery 31.29%

     

    Flavor
    Bitter 84.85%
    Parsley 21.51%
    Eugenol 21.02%
    Cedarleaf 20.22%
    Lovage 20.0%
    Ripe apricot 19.56%
    Sweet-like 19.54%
    Very strong 19.52%
    Flat 19.48%
    Bland 19.37%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.0

    pKa est.
    8.03 (weak base)

    Molecular weight
    326.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1016°C

    Flash point

    • 203.9 ˚C est.

  • Synonyms

    • Eucalyptin
    • 3122-88-1
    • 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethylchromen-4-one
    • DTXSID60185145
    • 4',7-Dimethoxy-6,8-dimethyl-5-hydroxyflavone
    • RefChem:139324
    • DTXCID70107636
    • 221-502-8
    • 5-hydroxy-7,4'-dimethoxy-6,8-dimethylflavone
    • 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-4H-chromen-4-one
    • 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-4H-1-benzopyran-4-one
    • Flavone, 5-hydroxy-4',7-dimethoxy-6,8-dimethyl-
    • 4',7-Dimethoxy-6,8-dimethyl-5-hydroxyflavone; Eucalyptin
    • 5-hydroxy-4',7-dimethoxy-6,8-dimethylflavone
    • EINECS 221-502-8
    • orb1682604
    • SCHEMBL1250942
    • CHEMBL4750729
    • CHEBI:230595
    • NHMMAMIRMITGRD-UHFFFAOYSA-N
    • HY-N3876
    • 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-4-benzopyrone
    • LMPK12111028
    • AKOS016009468
    • FH65298
    • FS-9743
    • DB-047989
    • CS-0024388
    • NS00029040
    • B0005-178920
    • 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethyl-chromen-4-one
    • 3122-88-1

  • Applications

    Eucalyptin (CAS 3122-88-1) is typically used as an odorant in fragrance formulations and as a fragrance ingredient in cosmetics and personal care products; it may also function as a scent component in household products such as air fresheners and cleaners. In coatings and inks, it can serve as an aroma additive to impart a eucalyptus-like note. It may be evaluated as an intermediate in fragrance synthesis and processing. In polymer and plastics formulations, it can be used as a fragrance additive to impart aroma in the final product. Applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.54
    methanol 0.51
    isopropanol 0.6
    water 0.0
    ethyl acetate 3.33
    n-propanol 0.82
    acetone 4.03
    n-butanol 0.79
    acetonitrile 1.9
    DMF 12.25
    toluene 1.6
    isobutanol 0.86
    1,4-dioxane 8.87
    methyl acetate 4.31
    THF 27.17
    2-butanone 4.86
    n-pentanol 0.85
    sec-butanol 0.77
    n-hexane 0.12
    ethylene glycol 0.32
    NMP 17.77
    cyclohexane 0.13
    DMSO 15.93
    n-butyl acetate 3.49
    n-octanol 0.47
    chloroform 17.02
    n-propyl acetate 3.23
    acetic acid 3.62
    dichloromethane 21.3
    cyclohexanone 9.77
    propylene glycol 0.31
    isopropyl acetate 2.97
    DMAc 21.87
    2-ethoxyethanol 3.39
    isopentanol 1.21
    n-heptane 0.11
    ethyl formate 1.76
    1,2-dichloroethane 13.49
    n-hexanol 0.96
    2-methoxyethanol 4.67
    isobutyl acetate 2.6
    tetrachloromethane 0.95
    n-pentyl acetate 2.29
    transcutol 11.14
    n-heptanol 0.77
    ethylbenzene 1.05
    MIBK 3.34
    2-propoxyethanol 5.92
    tert-butanol 1.56
    MTBE 2.45
    2-butoxyethanol 3.32
    propionic acid 2.13
    o-xylene 1.29
    formic acid 1.14
    diethyl ether 2.2
    m-xylene 1.15
    p-xylene 1.7
    chlorobenzene 3.41
    dimethyl carbonate 4.44
    n-octane 0.05
    formamide 2.59
    cyclopentanone 14.94
    2-pentanone 3.41
    anisole 3.79
    cyclopentyl methyl ether 6.04
    gamma-butyrolactone 17.31
    1-methoxy-2-propanol 3.65
    pyridine 8.39
    3-pentanone 4.3
    furfural 15.85
    n-dodecane 0.05
    diethylene glycol 4.79
    diisopropyl ether 0.9
    tert-amyl alcohol 1.5
    acetylacetone 7.27
    n-hexadecane 0.07
    acetophenone 4.96
    methyl propionate 4.34
    isopentyl acetate 4.46
    trichloroethylene 29.81
    n-nonanol 0.65
    cyclohexanol 1.42
    benzyl alcohol 2.59
    2-ethylhexanol 1.23
    isooctanol 0.98
    dipropyl ether 2.52
    1,2-dichlorobenzene 4.53
    ethyl lactate 2.27
    propylene carbonate 6.33
    n-methylformamide 3.1
    2-pentanol 0.6
    n-pentane 0.06
    1-propoxy-2-propanol 4.27
    1-methoxy-2-propyl acetate 7.24
    2-(2-methoxypropoxy) propanol 5.77
    mesitylene 0.69
    ε-caprolactone 7.89
    p-cymene 1.16
    epichlorohydrin 30.61
    1,1,1-trichloroethane 7.49
    2-aminoethanol 0.67
    morpholine-4-carbaldehyde 18.89
    sulfolane 31.32
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 8.59
    n-hexyl acetate 2.29
    isooctane 0.07
    2-(2-butoxyethoxy)ethanol 4.98
    sec-butyl acetate 2.81
    tert-butyl acetate 5.12
    decalin 0.22
    glycerin 1.37
    diglyme 15.26
    acrylic acid 3.03
    isopropyl myristate 1.57
    n-butyric acid 2.38
    acetyl acetate 3.46
    di(2-ethylhexyl) phthalate 2.4
    ethyl propionate 4.07
    nitromethane 11.13
    1,2-diethoxyethane 4.8
    benzonitrile 2.99
    trioctyl phosphate 1.33
    1-bromopropane 3.56
    gamma-valerolactone 20.06
    n-decanol 0.51
    triethyl phosphate 4.27
    4-methyl-2-pentanol 0.75
    propionitrile 2.32
    vinylene carbonate 6.54
    1,1,2-trichlorotrifluoroethane 17.72
    DMS 5.65
    cumene 0.98
    2-octanol 0.53
    2-hexanone 3.55
    octyl acetate 1.65
    limonene 1.43
    1,2-dimethoxyethane 11.51
    ethyl orthosilicate 3.95
    tributyl phosphate 1.88
    diacetone alcohol 5.64
    N,N-dimethylaniline 3.4
    acrylonitrile 3.98
    aniline 2.6
    1,3-propanediol 1.3
    bromobenzene 3.63
    dibromomethane 8.99
    1,1,2,2-tetrachloroethane 19.56
    2-methyl-cyclohexyl acetate 4.94
    tetrabutyl urea 2.99
    diisobutyl methanol 1.2
    2-phenylethanol 3.26
    styrene 1.15
    dioctyl adipate 3.3
    dimethyl sulfate 12.56
    ethyl butyrate 4.2
    methyl lactate 2.98
    butyl lactate 2.28
    diethyl carbonate 3.49
    propanediol butyl ether 1.63
    triethyl orthoformate 4.46
    p-tert-butyltoluene 1.15
    methyl 4-tert-butylbenzoate 5.99
    morpholine 8.95
    tert-butylamine 0.79
    n-dodecanol 0.42
    dimethoxymethane 8.9
    ethylene carbonate 4.73
    cyrene 8.1
    2-ethoxyethyl acetate 4.97
    2-ethylhexyl acetate 3.63
    1,2,4-trichlorobenzene 6.3
    4-methylpyridine 6.22
    dibutyl ether 1.46
    2,6-dimethyl-4-heptanol 1.2
    DEF 6.12
    dimethyl isosorbide 16.05
    tetrachloroethylene 10.83
    eugenol 5.73
    triacetin 4.7
    span 80 3.32
    1,4-butanediol 0.58
    1,1-dichloroethane 5.87
    2-methyl-1-pentanol 1.42
    methyl formate 3.2
    2-methyl-1-butanol 1.08
    n-decane 0.09
    butyronitrile 1.71
    3,7-dimethyl-1-octanol 0.85
    1-chlorooctane 0.51
    1-chlorotetradecane 0.28
    n-nonane 0.06
    undecane 0.07
    tert-butylcyclohexane 0.2
    cyclooctane 0.05
    cyclopentanol 2.08
    tetrahydropyran 5.22
    tert-amyl methyl ether 2.42
    2,5,8-trioxanonane 11.61
    1-hexene 0.54
    2-isopropoxyethanol 2.93
    2,2,2-trifluoroethanol 2.35
    methyl butyrate 4.41

    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