3,6-Dimethyl-2(3H)-benzofuranone

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  • Identifiers

    CAS number
    65817-24-5

    Molecular formula
    C10H10O2

    SMILES
    CC1C2=C(C=C(C=C2)C)OC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Coumarinic 55.58%
    Sweet 53.67%
    Coconut 48.75%
    Floral 47.94%
    Hay 42.57%
    Phenolic 39.12%
    Powdery 39.0%
    Vanilla 33.35%
    Spicy 32.44%
    Creamy 31.81%

     

    Flavor
    Bitter 53.93%
    Herbal 28.34%
    Minty 27.05%
    Spice 26.22%
    Woody 24.56%
    Tonka 24.51%
    Tobacco 22.84%
    Coumarin 22.76%
    Lovage 21.68%
    Sweet 21.46%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.05 (weak base)

    Molecular weight
    162.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 64.00 °C. @ 0.08 mm Hg

    Flash point

    • 132.81 ˚C est.

    Solubility expt.

    • Insoluble in water;
    • soluble (in ethanol)

  • Synonyms

    • 3,6-Dimethyl-2(3H)-benzofuranone
    • 65817-24-5
    • 2(3H)-benzofuranone, 3,6-dimethyl-
    • FEMA no. 3863
    • UNII-0XUR2L45V9
    • Dimethyl-3,6-benzo-2(3H)-furanone
    • 0XUR2L45V9
    • 3,6-DIMETHYL-3H-1-BENZOFURAN-2-ONE
    • 2-(4-Methyl-2-hydroxyphenyl)propionic acid-gamma-lactone
    • 2-(4-Methyl-2-hydroxyphenyl)propionic acid-gamma-lactone [FHFI]
    • 2-(4-METHYL-2-HYDROXYPHENYL)PROPIONICACIDGAMMALACTONE
    • 3,6-dimethyl-2,3-dihydro-1-benzofuran-2-one
    • 2-(4-METHYL-2-HYDROXYPHENYL)PROPIONIC ACID-.GAMMA.-LACTONE
    • 2-(4-METHYL-2-HYDROXYPHENYL)PROPIONIC ACID-.GAMMA.-LACTONE [FHFI]
    • 2[3H]-Benzofuranone, 3,6-Dimethyl-
    • Dimethyl Benzofuranone
    • Furaminton
    • 3,6-Dimethylbenzofuran-2(3H)-one
    • SCHEMBL6251806
    • FEMA 3863
    • DTXSID30984309
    • CHEBI:196002
    • 3,6-dimethyl-3H-1-benzouran-2-one
    • 3,6-dimethyl-1-benzofuran-2(3H)-one
    • 3,6-Dimethyl-benzo-[b]-furan-2(3H)-one
    • NS00122648
    • EN300-7833109
    • Q27237325
    • 613-842-4

  • Applications

    3,6-Dimethyl-2(3H)-benzofuranone is commonly evaluated as a fragrance intermediate and aroma chemical, serving as a scent-building block in perfumery and in cosmetics/personal care formulations. It may act as an intermediate in the synthesis of other fragrance compounds and specialty chemicals, with potential applications in coatings/inks and in polymer materials. In household cleaning products, it can function as an odorant or fragrance ingredient to enhance consumer perception. In industrial manufacturing it is used as a chemical intermediate for the preparation of functionalized polymers and related additives. Depending on formulation and local regulations, it may also be employed as a component in adhesives or other scent-related consumer products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 136.58
    methanol 154.09
    isopropanol 121.55
    water 2.31
    ethyl acetate 270.93
    n-propanol 119.15
    acetone 366.12
    n-butanol 103.5
    acetonitrile 415.86
    DMF 763.06
    toluene 147.23
    isobutanol 101.09
    1,4-dioxane 534.69
    methyl acetate 358.07
    THF 408.65
    2-butanone 299.65
    n-pentanol 93.72
    sec-butanol 121.29
    n-hexane 5.66
    ethylene glycol 49.92
    NMP 411.55
    cyclohexane 13.23
    DMSO 263.75
    n-butyl acetate 163.99
    n-octanol 99.09
    chloroform 739.31
    n-propyl acetate 161.95
    acetic acid 176.03
    dichloromethane 831.24
    cyclohexanone 337.65
    propylene glycol 61.98
    isopropyl acetate 141.64
    DMAc 417.74
    2-ethoxyethanol 159.85
    isopentanol 110.2
    n-heptane 8.69
    ethyl formate 263.7
    1,2-dichloroethane 363.91
    n-hexanol 122.85
    2-methoxyethanol 254.18
    isobutyl acetate 98.03
    tetrachloromethane 82.32
    n-pentyl acetate 118.38
    transcutol 432.23
    n-heptanol 75.66
    ethylbenzene 89.36
    MIBK 130.09
    2-propoxyethanol 214.39
    tert-butanol 156.81
    MTBE 122.8
    2-butoxyethanol 138.36
    propionic acid 163.7
    o-xylene 103.69
    formic acid 74.1
    diethyl ether 119.14
    m-xylene 110.85
    p-xylene 133.98
    chlorobenzene 230.38
    dimethyl carbonate 167.7
    n-octane 7.32
    formamide 207.86
    cyclopentanone 398.04
    2-pentanone 197.7
    anisole 224.01
    cyclopentyl methyl ether 147.09
    gamma-butyrolactone 483.69
    1-methoxy-2-propanol 194.43
    pyridine 386.57
    3-pentanone 163.05
    furfural 465.85
    n-dodecane 11.4
    diethylene glycol 191.65
    diisopropyl ether 42.87
    tert-amyl alcohol 131.24
    acetylacetone 269.87
    n-hexadecane 13.25
    acetophenone 205.05
    methyl propionate 235.09
    isopentyl acetate 146.38
    trichloroethylene 730.83
    n-nonanol 88.78
    cyclohexanol 110.77
    benzyl alcohol 167.62
    2-ethylhexanol 83.78
    isooctanol 66.83
    dipropyl ether 70.61
    1,2-dichlorobenzene 213.23
    ethyl lactate 96.05
    propylene carbonate 296.34
    n-methylformamide 342.14
    2-pentanol 79.11
    n-pentane 6.75
    1-propoxy-2-propanol 137.33
    1-methoxy-2-propyl acetate 177.31
    2-(2-methoxypropoxy) propanol 179.77
    mesitylene 62.42
    ε-caprolactone 297.61
    p-cymene 60.49
    epichlorohydrin 523.63
    1,1,1-trichloroethane 319.36
    2-aminoethanol 86.66
    morpholine-4-carbaldehyde 496.5
    sulfolane 376.62
    2,2,4-trimethylpentane 8.28
    2-methyltetrahydrofuran 266.21
    n-hexyl acetate 183.56
    isooctane 6.87
    2-(2-butoxyethoxy)ethanol 215.81
    sec-butyl acetate 104.56
    tert-butyl acetate 138.77
    decalin 13.06
    glycerin 85.77
    diglyme 376.34
    acrylic acid 154.97
    isopropyl myristate 89.4
    n-butyric acid 170.05
    acetyl acetate 184.13
    di(2-ethylhexyl) phthalate 95.25
    ethyl propionate 150.9
    nitromethane 491.4
    1,2-diethoxyethane 171.85
    benzonitrile 265.64
    trioctyl phosphate 66.63
    1-bromopropane 156.79
    gamma-valerolactone 488.37
    n-decanol 74.36
    triethyl phosphate 74.84
    4-methyl-2-pentanol 61.69
    propionitrile 258.22
    vinylene carbonate 333.75
    1,1,2-trichlorotrifluoroethane 255.67
    DMS 202.37
    cumene 65.13
    2-octanol 64.03
    2-hexanone 146.23
    octyl acetate 113.4
    limonene 69.57
    1,2-dimethoxyethane 315.81
    ethyl orthosilicate 66.85
    tributyl phosphate 83.88
    diacetone alcohol 157.01
    N,N-dimethylaniline 137.26
    acrylonitrile 390.86
    aniline 175.6
    1,3-propanediol 121.24
    bromobenzene 240.19
    dibromomethane 422.89
    1,1,2,2-tetrachloroethane 438.3
    2-methyl-cyclohexyl acetate 119.59
    tetrabutyl urea 106.13
    diisobutyl methanol 52.11
    2-phenylethanol 165.76
    styrene 114.23
    dioctyl adipate 122.25
    dimethyl sulfate 207.42
    ethyl butyrate 128.31
    methyl lactate 115.42
    butyl lactate 99.74
    diethyl carbonate 119.32
    propanediol butyl ether 125.16
    triethyl orthoformate 89.87
    p-tert-butyltoluene 56.07
    methyl 4-tert-butylbenzoate 165.05
    morpholine 415.73
    tert-butylamine 91.74
    n-dodecanol 61.85
    dimethoxymethane 325.52
    ethylene carbonate 265.98
    cyrene 172.38
    2-ethoxyethyl acetate 184.88
    2-ethylhexyl acetate 113.58
    1,2,4-trichlorobenzene 231.53
    4-methylpyridine 373.06
    dibutyl ether 96.92
    2,6-dimethyl-4-heptanol 52.11
    DEF 248.94
    dimethyl isosorbide 270.46
    tetrachloroethylene 281.71
    eugenol 183.06
    triacetin 187.83
    span 80 142.71
    1,4-butanediol 72.39
    1,1-dichloroethane 377.31
    2-methyl-1-pentanol 104.51
    methyl formate 330.3
    2-methyl-1-butanol 101.72
    n-decane 15.14
    butyronitrile 218.72
    3,7-dimethyl-1-octanol 93.53
    1-chlorooctane 65.1
    1-chlorotetradecane 33.57
    n-nonane 12.92
    undecane 13.2
    tert-butylcyclohexane 12.68
    cyclooctane 5.48
    cyclopentanol 133.62
    tetrahydropyran 241.25
    tert-amyl methyl ether 94.91
    2,5,8-trioxanonane 295.69
    1-hexene 34.35
    2-isopropoxyethanol 132.73
    2,2,2-trifluoroethanol 112.75
    methyl butyrate 199.61

    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