Dihydro-4,5-dimethyl-2(3H)-furanone

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  • Identifiers

    CAS number
    6971-63-7

    Molecular formula
    C6H10O2

    SMILES
    CC1CC(=O)OC1C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 58.12%
    Coumarinic 55.71%
    Coconut 50.4%
    Herbal 47.65%
    Caramellic 46.34%
    Nutty 46.31%
    Tobacco 43.28%
    Mint 42.79%
    Hay 40.63%
    Lactonic 37.72%

     

    Flavor
    Sweet 57.59%
    Fruity 56.02%
    Herbal 48.55%
    Minty 48.37%
    Tobacco 43.83%
    Caramel 39.4%
    Woody 35.76%
    Coumarin 30.64%
    Nutty 27.69%
    Tonka 25.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    8.33 (weak base)

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    218°C

    Flash point

    • 58.84 ˚C est.

  • Synonyms

    • 6971-63-7
    • Dihydro-4,5-dimethyl-2(3H)-furanone
    • RefChem:1083587
    • 4,5-dimethyldihydrofuran-2(3h)-one
    • 4,5-dimethyloxolan-2-one
    • 4,5-Dimethyltetrahydrofuran-2-one
    • 2(3H)-Furanone, dihydro-4,5-dimethyl-
    • 3-Methyl-4-pentanolide
    • MFCD24506520
    • 4-Hydroxy-3-methylpentanoic acid lactone
    • NSC66595
    • 4,5-Dimethyl-4,5-dihydro-2(3H)-furanone
    • SCHEMBL364043
    • SCHEMBL20972839
    • DTXSID20290108
    • PXIPZIPSDBXFQR-UHFFFAOYSA-N
    • AC8330
    • NSC 66595
    • NSC-66595
    • 4,5-Dimethyldihydro-2(3H)-furanone
    • AKOS037655862
    • SY262129
    • 6971-63-7

  • Applications

    Dihydro-4,5-dimethyl-2(3H)-furanone (CAS 6971-63-7) is commonly used as an odorant and aroma intermediate in fragrance and flavor applications; it may serve as an intermediate in organic synthesis of specialty chemicals and fragrance ingredients; in cosmetics and personal care formulations it can act as a scent component; in household products and coatings/inks it may be employed as a fragrance additive; in polymer and plastics chemistry it can function as a lactone-building block for ring-opening polymerization; and it is often evaluated as a potential precursor in industrial manufacturing of specialty materials, subject to formulation limits and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 837.54
    methanol 1187.32
    isopropanol 668.27
    water 95.75
    ethyl acetate 312.89
    n-propanol 545.9
    acetone 608.25
    n-butanol 407.9
    acetonitrile 636.36
    DMF 664.21
    toluene 83.03
    isobutanol 384.13
    1,4-dioxane 723.03
    methyl acetate 379.84
    THF 600.99
    2-butanone 344.18
    n-pentanol 285.69
    sec-butanol 495.43
    n-hexane 14.63
    ethylene glycol 361.87
    NMP 521.18
    cyclohexane 17.45
    DMSO 545.65
    n-butyl acetate 113.18
    n-octanol 135.35
    chloroform 1373.33
    n-propyl acetate 124.93
    acetic acid 1322.46
    dichloromethane 959.75
    cyclohexanone 329.68
    propylene glycol 491.27
    isopropyl acetate 171.39
    DMAc 486.29
    2-ethoxyethanol 422.94
    isopentanol 312.07
    n-heptane 8.06
    ethyl formate 219.23
    1,2-dichloroethane 361.24
    n-hexanol 202.54
    2-methoxyethanol 793.72
    isobutyl acetate 83.02
    tetrachloromethane 124.16
    n-pentyl acetate 107.42
    transcutol 977.83
    n-heptanol 115.73
    ethylbenzene 57.6
    MIBK 147.3
    2-propoxyethanol 367.56
    tert-butanol 598.85
    MTBE 253.27
    2-butoxyethanol 224.37
    propionic acid 597.7
    o-xylene 77.62
    formic acid 691.24
    diethyl ether 227.02
    m-xylene 80.78
    p-xylene 102.13
    chlorobenzene 200.34
    dimethyl carbonate 119.65
    n-octane 5.61
    formamide 786.47
    cyclopentanone 442.58
    2-pentanone 224.23
    anisole 189.96
    cyclopentyl methyl ether 198.36
    gamma-butyrolactone 588.29
    1-methoxy-2-propanol 559.37
    pyridine 420.88
    3-pentanone 151.9
    furfural 566.84
    n-dodecane 7.16
    diethylene glycol 420.42
    diisopropyl ether 60.1
    tert-amyl alcohol 446.11
    acetylacetone 325.96
    n-hexadecane 7.7
    acetophenone 168.1
    methyl propionate 225.55
    isopentyl acetate 113.73
    trichloroethylene 863.63
    n-nonanol 111.41
    cyclohexanol 261.76
    benzyl alcohol 203.42
    2-ethylhexanol 90.31
    isooctanol 90.12
    dipropyl ether 59.03
    1,2-dichlorobenzene 177.5
    ethyl lactate 109.59
    propylene carbonate 306.0
    n-methylformamide 507.24
    2-pentanol 257.91
    n-pentane 16.15
    1-propoxy-2-propanol 212.59
    1-methoxy-2-propyl acetate 161.17
    2-(2-methoxypropoxy) propanol 223.24
    mesitylene 48.66
    ε-caprolactone 320.01
    p-cymene 37.62
    epichlorohydrin 560.62
    1,1,1-trichloroethane 411.82
    2-aminoethanol 623.0
    morpholine-4-carbaldehyde 552.63
    sulfolane 536.31
    2,2,4-trimethylpentane 15.12
    2-methyltetrahydrofuran 417.37
    n-hexyl acetate 198.48
    isooctane 10.15
    2-(2-butoxyethoxy)ethanol 323.37
    sec-butyl acetate 95.48
    tert-butyl acetate 175.83
    decalin 14.62
    glycerin 535.95
    diglyme 463.77
    acrylic acid 600.69
    isopropyl myristate 66.37
    n-butyric acid 506.5
    acetyl acetate 236.07
    di(2-ethylhexyl) phthalate 82.45
    ethyl propionate 117.45
    nitromethane 1205.46
    1,2-diethoxyethane 184.04
    benzonitrile 240.94
    trioctyl phosphate 55.59
    1-bromopropane 182.13
    gamma-valerolactone 593.14
    n-decanol 78.45
    triethyl phosphate 56.82
    4-methyl-2-pentanol 138.79
    propionitrile 318.04
    vinylene carbonate 301.38
    1,1,2-trichlorotrifluoroethane 532.99
    DMS 157.22
    cumene 48.88
    2-octanol 84.7
    2-hexanone 143.78
    octyl acetate 92.96
    limonene 50.94
    1,2-dimethoxyethane 428.16
    ethyl orthosilicate 52.86
    tributyl phosphate 68.59
    diacetone alcohol 278.82
    N,N-dimethylaniline 115.53
    acrylonitrile 434.9
    aniline 225.98
    1,3-propanediol 585.34
    bromobenzene 177.59
    dibromomethane 534.15
    1,1,2,2-tetrachloroethane 657.9
    2-methyl-cyclohexyl acetate 91.05
    tetrabutyl urea 76.3
    diisobutyl methanol 51.85
    2-phenylethanol 163.18
    styrene 72.94
    dioctyl adipate 99.79
    dimethyl sulfate 199.37
    ethyl butyrate 85.87
    methyl lactate 196.01
    butyl lactate 111.77
    diethyl carbonate 69.76
    propanediol butyl ether 284.9
    triethyl orthoformate 66.37
    p-tert-butyltoluene 37.56
    methyl 4-tert-butylbenzoate 158.94
    morpholine 705.46
    tert-butylamine 305.44
    n-dodecanol 56.29
    dimethoxymethane 298.0
    ethylene carbonate 221.92
    cyrene 193.5
    2-ethoxyethyl acetate 168.83
    2-ethylhexyl acetate 80.09
    1,2,4-trichlorobenzene 233.13
    4-methylpyridine 357.82
    dibutyl ether 81.04
    2,6-dimethyl-4-heptanol 51.85
    DEF 238.49
    dimethyl isosorbide 277.65
    tetrachloroethylene 407.8
    eugenol 181.23
    triacetin 200.66
    span 80 207.83
    1,4-butanediol 260.83
    1,1-dichloroethane 533.49
    2-methyl-1-pentanol 233.51
    methyl formate 340.96
    2-methyl-1-butanol 319.27
    n-decane 11.15
    butyronitrile 281.98
    3,7-dimethyl-1-octanol 116.59
    1-chlorooctane 55.87
    1-chlorotetradecane 21.96
    n-nonane 9.97
    undecane 8.62
    tert-butylcyclohexane 15.91
    cyclooctane 5.81
    cyclopentanol 365.44
    tetrahydropyran 368.23
    tert-amyl methyl ether 169.04
    2,5,8-trioxanonane 328.54
    1-hexene 66.93
    2-isopropoxyethanol 261.99
    2,2,2-trifluoroethanol 467.74
    methyl butyrate 152.28

    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