5,5-Dimethyl-2(5H)-furanone

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  • Identifiers

    CAS number
    20019-64-1

    Molecular formula
    C6H8O2

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

    Retention indicies (RI)

    • Carbowax: 1587.0

  • Odor profile

    Fragrance
    Sweet 63.89%
    Herbal 56.35%
    Tobacco 54.22%
    Mint 51.72%
    Fruity 50.26%
    Coumarinic 48.44%
    Nutty 42.96%
    Spicy 39.4%
    Coconut 38.52%
    Hay 38.51%

     

    Flavor
    Fruity 60.69%
    Minty 38.74%
    Tobacco 34.7%
    Sweet 30.85%
    Herbal 28.35%
    Caramel 27.41%
    Woody 26.07%
    Spice 25.04%
    Mint 21.51%
    Coumarin 21.03%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.51 (neutral)

    Molecular weight
    112.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    212°C

    Flash point

    • 58.82 ˚C est.

  • Synonyms

    • 5,5-Dimethyl-2(5H)-furanone
    • 2(5H)-Furanone, 5,5-dimethyl-
    • 20019-64-1
    • 5,5-dimethylfuran-2-one
    • 4,4-Dimethyl-2-butenolide
    • 5,5-Dimethylfuran-2(5H)-one
    • 4,4-Dimethyl-2-buten-4-olide
    • 4,4-Dimethylbut-2-enolide
    • 5,5-Dimethylbut-3-enolide
    • UNII-0HJB56V40L
    • 0HJB56V40L
    • 5,5-DIMETHYL-2-FURANONE
    • 4,4-Dimethylcrotonolactone
    • DTXSID90173833
    • 5,5-dimethyl-2,5-dihydrofuran-2-one
    • 4,4-DIMETHYLBUT-2-EN-4-OLIDE
    • 2,2-DIMETHYL-5-OXO-2,5-DIHYDROFURAN
    • 4-HYDROXY-4-METHYL-2-PENTENOIC ACID LACTONE
    • 2-PENTENOIC ACID, 4-HYDROXY-4-METHYL-, .GAMMA.-LACTONE
    • dimethyl-2(5h)-furanone
    • 5,5-dimethyluran-2-one
    • SCHEMBL3834814
    • DTXCID8096324
    • CHEBI:173379
    • Q27236787
    • 2-PENTENOIC ACID, 4-HYDROXY-4-METHYL-, GAMMA-LACTONE

  • Applications

    5,5-Dimethyl-2(5H)-furanone (CAS 20019-64-1) is a lactone used primarily as a fragrance ingredient and odorant in perfumery, often functioning as a fixative and an aromatic building block in fragrance design and related flavor applications; it is also employed in cosmetics/personal care formulations as a fragrance component and in household products such as air fresheners and cleaners for scent contribution; in industrial manufacturing it serves as an intermediate for the synthesis of other fragrance compounds; in polymer/plastics contexts it has been explored as a monomer or specialty intermediate for polyesters. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 291.6
    methanol 403.92
    isopropanol 253.5
    water 48.17
    ethyl acetate 246.78
    n-propanol 207.33
    acetone 377.65
    n-butanol 175.55
    acetonitrile 319.66
    DMF 576.01
    toluene 74.54
    isobutanol 151.9
    1,4-dioxane 374.37
    methyl acetate 283.84
    THF 440.94
    2-butanone 236.87
    n-pentanol 117.53
    sec-butanol 214.41
    n-hexane 23.14
    ethylene glycol 153.23
    NMP 487.18
    cyclohexane 20.98
    DMSO 313.25
    n-butyl acetate 86.44
    n-octanol 108.33
    chloroform 525.04
    n-propyl acetate 106.41
    acetic acid 484.58
    dichloromethane 366.43
    cyclohexanone 211.99
    propylene glycol 247.24
    isopropyl acetate 143.91
    DMAc 539.53
    2-ethoxyethanol 194.26
    isopentanol 137.34
    n-heptane 13.8
    ethyl formate 154.64
    1,2-dichloroethane 162.46
    n-hexanol 140.03
    2-methoxyethanol 407.8
    isobutyl acetate 68.43
    tetrachloromethane 61.91
    n-pentyl acetate 71.19
    transcutol 471.27
    n-heptanol 72.61
    ethylbenzene 51.22
    MIBK 121.49
    2-propoxyethanol 268.31
    tert-butanol 307.72
    MTBE 174.43
    2-butoxyethanol 127.68
    propionic acid 289.21
    o-xylene 67.34
    formic acid 277.65
    diethyl ether 166.76
    m-xylene 74.16
    p-xylene 75.27
    chlorobenzene 119.33
    dimethyl carbonate 161.2
    n-octane 8.52
    formamide 306.1
    cyclopentanone 291.08
    2-pentanone 183.18
    anisole 150.04
    cyclopentyl methyl ether 184.12
    gamma-butyrolactone 404.04
    1-methoxy-2-propanol 385.97
    pyridine 199.32
    3-pentanone 145.69
    furfural 345.02
    n-dodecane 10.94
    diethylene glycol 245.96
    diisopropyl ether 63.63
    tert-amyl alcohol 244.63
    acetylacetone 249.22
    n-hexadecane 11.56
    acetophenone 140.61
    methyl propionate 229.18
    isopentyl acetate 82.39
    trichloroethylene 370.62
    n-nonanol 92.01
    cyclohexanol 153.91
    benzyl alcohol 114.25
    2-ethylhexanol 70.42
    isooctanol 57.39
    dipropyl ether 64.43
    1,2-dichlorobenzene 113.42
    ethyl lactate 104.99
    propylene carbonate 252.47
    n-methylformamide 300.17
    2-pentanol 148.39
    n-pentane 22.8
    1-propoxy-2-propanol 164.94
    1-methoxy-2-propyl acetate 144.07
    2-(2-methoxypropoxy) propanol 171.48
    mesitylene 46.96
    ε-caprolactone 222.04
    p-cymene 33.8
    epichlorohydrin 317.35
    1,1,1-trichloroethane 214.86
    2-aminoethanol 238.54
    morpholine-4-carbaldehyde 423.04
    sulfolane 368.27
    2,2,4-trimethylpentane 17.01
    2-methyltetrahydrofuran 277.41
    n-hexyl acetate 145.39
    isooctane 12.61
    2-(2-butoxyethoxy)ethanol 205.3
    sec-butyl acetate 83.57
    tert-butyl acetate 149.43
    decalin 18.45
    glycerin 292.31
    diglyme 276.26
    acrylic acid 288.89
    isopropyl myristate 65.06
    n-butyric acid 242.97
    acetyl acetate 185.52
    di(2-ethylhexyl) phthalate 65.24
    ethyl propionate 130.63
    nitromethane 615.64
    1,2-diethoxyethane 112.9
    benzonitrile 125.8
    trioctyl phosphate 49.12
    1-bromopropane 110.4
    gamma-valerolactone 397.42
    n-decanol 70.18
    triethyl phosphate 54.72
    4-methyl-2-pentanol 95.99
    propionitrile 179.74
    vinylene carbonate 232.19
    1,1,2-trichlorotrifluoroethane 311.18
    DMS 146.65
    cumene 42.82
    2-octanol 63.23
    2-hexanone 112.94
    octyl acetate 84.7
    limonene 45.6
    1,2-dimethoxyethane 262.61
    ethyl orthosilicate 50.88
    tributyl phosphate 59.27
    diacetone alcohol 213.93
    N,N-dimethylaniline 107.23
    acrylonitrile 229.94
    aniline 134.75
    1,3-propanediol 231.55
    bromobenzene 98.74
    dibromomethane 219.73
    1,1,2,2-tetrachloroethane 311.45
    2-methyl-cyclohexyl acetate 77.81
    tetrabutyl urea 77.98
    diisobutyl methanol 44.77
    2-phenylethanol 115.39
    styrene 60.41
    dioctyl adipate 87.16
    dimethyl sulfate 227.07
    ethyl butyrate 76.51
    methyl lactate 191.49
    butyl lactate 80.02
    diethyl carbonate 65.0
    propanediol butyl ether 168.55
    triethyl orthoformate 61.15
    p-tert-butyltoluene 36.43
    methyl 4-tert-butylbenzoate 135.9
    morpholine 383.23
    tert-butylamine 173.46
    n-dodecanol 54.37
    dimethoxymethane 300.51
    ethylene carbonate 181.12
    cyrene 173.73
    2-ethoxyethyl acetate 110.99
    2-ethylhexyl acetate 64.71
    1,2,4-trichlorobenzene 142.77
    4-methylpyridine 213.54
    dibutyl ether 68.99
    2,6-dimethyl-4-heptanol 44.77
    DEF 210.72
    dimethyl isosorbide 226.67
    tetrachloroethylene 171.56
    eugenol 134.39
    triacetin 163.61
    span 80 156.6
    1,4-butanediol 99.32
    1,1-dichloroethane 246.51
    2-methyl-1-pentanol 106.16
    methyl formate 241.67
    2-methyl-1-butanol 142.24
    n-decane 15.75
    butyronitrile 142.62
    3,7-dimethyl-1-octanol 92.76
    1-chlorooctane 53.25
    1-chlorotetradecane 26.61
    n-nonane 14.84
    undecane 12.79
    tert-butylcyclohexane 19.73
    cyclooctane 9.26
    cyclopentanol 194.19
    tetrahydropyran 235.78
    tert-amyl methyl ether 144.86
    2,5,8-trioxanonane 235.45
    1-hexene 58.4
    2-isopropoxyethanol 143.01
    2,2,2-trifluoroethanol 233.83
    methyl butyrate 143.67

    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

Botanical

Name CAS Botanical Proportion
Myrrh gum (headspace) 8016-37-3 Commiphora myrrha (Nees) Engler, fam. Burseraceae 1.04%
Artemisia anethoides (China) Artemisia anethoides Mattf., fam. Asteraceae (Compositae) 0.58%
Narcissus tazetta headspace (China) 1 8023-75-4 Narcissus tazetta L. var. chinensis Roem., fam. Amaryllidaceae 0.22%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 0.07%
Armoise (Spain) ssp. valentina 8008-93-3 Artemisia herba-alba Asso ssp. valentina (Lam.) Marcl., fam. Asteraceae 0.2%