3-Methyl-2(5H)-furanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    71437-02-0

    Molecular formula
    C5H6O2

    SMILES
    CC1=CCOC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 82.14%
    Caramellic 67.96%
    Coumarinic 64.48%
    Coconut 52.79%
    Nutty 52.51%
    Burnt 49.97%
    Tobacco 49.28%
    Hay 46.04%
    Mint 40.9%
    Spicy 37.84%

    Scent© AI

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    7.12 (neutral)

    Molecular weight
    98.1 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    188°C

    Flash point est.
    64.09 ˚C

  • Synonyms

    • 3-Methyl-2(5H)-furanone
    • 22122-36-7
    • 3-Methylfuran-2(5H)-one
    • 4-methyl-2H-furan-5-one
    • 2(5H)-Furanone, 3-methyl-
    • 2-Methyl-2-butenolide
    • N9KXQ3851K
    • MFCD00191545
    • FEMA NO. 4902
    • DTXSID50176643
    • .alpha.-Methyl-.gamma.-crotonolactone
    • 2(5H)-Furanone, methyl-
    • UNII-N9KXQ3851K
    • 3-methyl-5H-furan-2-one
    • 2-Methyl-2-buten-4-olide
    • DTXCID2099134
    • VGHBEMPMIVEGJP-UHFFFAOYSA-
    • GEO-01823
    • AKOS015916280
    • SY051333
    • DB-008319
    • CS-0204540
    • M1078
    • T72100
    • 3-Methyl-2(5H)-furanone, technical grade, 90%
    • 4-Hydroxy-2-methyl-2-butenoic Acid gamma-Lactone
    • Q27284743
    • InChI=1/C5H6O2/c1-4-2-3-7-5(4)6/h2H,3H2,1H3
    • 627-982-9

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 394.66
    methanol 607.88
    isopropanol 299.78
    water 76.9
    ethyl acetate 183.0
    n-propanol 256.67
    acetone 259.82
    n-butanol 221.68
    acetonitrile 342.5
    DMF 372.12
    toluene 62.14
    isobutanol 227.04
    1,4-dioxane 263.31
    methyl acetate 265.78
    THF 209.82
    2-butanone 203.27
    n-pentanol 175.28
    sec-butanol 280.89
    n-hexane 8.05
    ethylene glycol 132.99
    NMP 196.2
    cyclohexane 6.49
    DMSO 263.19
    n-butyl acetate 52.29
    n-octanol 77.55
    chloroform 397.29
    n-propyl acetate 94.19
    acetic acid 571.33
    dichloromethane 356.35
    cyclohexanone 122.44
    propylene glycol 142.51
    isopropyl acetate 113.87
    DMAc 417.71
    2-ethoxyethanol 384.78
    isopentanol 236.07
    n-heptane 5.08
    ethyl formate 162.12
    1,2-dichloroethane 160.76
    n-hexanol 84.92
    2-methoxyethanol 491.9
    isobutyl acetate 59.68
    tetrachloromethane 104.28
    n-pentyl acetate 73.09
    transcutol 665.65
    n-heptanol 80.34
    ethylbenzene 43.72
    MIBK 116.17
    2-propoxyethanol 177.7
    tert-butanol 390.0
    MTBE 219.14
    2-butoxyethanol 182.49
    propionic acid 246.42
    o-xylene 63.44
    formic acid 479.8
    diethyl ether 144.29
    m-xylene 51.59
    p-xylene 72.78
    chlorobenzene 85.51
    dimethyl carbonate 98.97
    n-octane 3.99
    formamide 879.16
    cyclopentanone 158.05
    2-pentanone 134.93
    anisole 171.79
    cyclopentyl methyl ether 90.29
    gamma-butyrolactone 218.26
    1-methoxy-2-propanol 321.75
    pyridine 235.47
    3-pentanone 92.47
    furfural 317.62
    n-dodecane 4.28
    diethylene glycol 169.38
    diisopropyl ether 44.4
    tert-amyl alcohol 361.18
    acetylacetone 172.49
    n-hexadecane 4.56
    acetophenone 155.44
    methyl propionate 146.44
    isopentyl acetate 66.64
    trichloroethylene 386.48
    n-nonanol 69.57
    cyclohexanol 104.42
    benzyl alcohol 167.83
    2-ethylhexanol 51.21
    isooctanol 80.71
    dipropyl ether 34.22
    1,2-dichlorobenzene 92.82
    ethyl lactate 65.5
    propylene carbonate 125.87
    n-methylformamide 358.52
    2-pentanol 173.34
    n-pentane 11.07
    1-propoxy-2-propanol 101.44
    1-methoxy-2-propyl acetate 81.65
    2-(2-methoxypropoxy) propanol 173.54
    mesitylene 35.41
    ε-caprolactone 131.84
    p-cymene 27.92
    epichlorohydrin 279.63
    1,1,1-trichloroethane 212.24
    2-aminoethanol 286.56
    morpholine-4-carbaldehyde 315.97
    sulfolane 181.34
    2,2,4-trimethylpentane 13.32
    2-methyltetrahydrofuran 174.83
    n-hexyl acetate 103.74
    isooctane 8.9
    2-(2-butoxyethoxy)ethanol 232.24
    sec-butyl acetate 74.63
    tert-butyl acetate 133.78
    decalin 8.0
    glycerin 190.61
    diglyme 415.56
    acrylic acid 247.8
    isopropyl myristate 40.87
    n-butyric acid 253.83
    acetyl acetate 131.21
    di(2-ethylhexyl) phthalate 56.51
    ethyl propionate 84.15
    nitromethane 825.68
    1,2-diethoxyethane 128.05
    benzonitrile 146.43
    trioctyl phosphate 33.48
    1-bromopropane 81.48
    gamma-valerolactone 273.52
    n-decanol 47.63
    triethyl phosphate 37.02
    4-methyl-2-pentanol 117.97
    propionitrile 173.5
    vinylene carbonate 147.39
    1,1,2-trichlorotrifluoroethane 293.87
    DMS 84.66
    cumene 41.8
    2-octanol 62.11
    2-hexanone 95.05
    octyl acetate 53.6
    limonene 28.69
    1,2-dimethoxyethane 340.43
    ethyl orthosilicate 39.16
    tributyl phosphate 36.23
    diacetone alcohol 211.68
    N,N-dimethylaniline 126.1
    acrylonitrile 259.43
    aniline 154.59
    1,3-propanediol 304.17
    bromobenzene 72.44
    dibromomethane 194.58
    1,1,2,2-tetrachloroethane 262.3
    2-methyl-cyclohexyl acetate 58.01
    tetrabutyl urea 45.46
    diisobutyl methanol 41.35
    2-phenylethanol 110.63
    styrene 56.5
    dioctyl adipate 61.43
    dimethyl sulfate 137.62
    ethyl butyrate 52.89
    methyl lactate 101.04
    butyl lactate 67.23
    diethyl carbonate 44.12
    propanediol butyl ether 157.21
    triethyl orthoformate 43.63
    p-tert-butyltoluene 28.56
    methyl 4-tert-butylbenzoate 143.68
    morpholine 302.8
    tert-butylamine 226.79
    n-dodecanol 33.05
    dimethoxymethane 224.17
    ethylene carbonate 102.64
    cyrene 142.16
    2-ethoxyethyl acetate 125.14
    2-ethylhexyl acetate 43.75
    1,2,4-trichlorobenzene 117.53
    4-methylpyridine 225.1
    dibutyl ether 51.43
    2,6-dimethyl-4-heptanol 41.35
    DEF 178.35
    dimethyl isosorbide 184.38
    tetrachloroethylene 242.93
    eugenol 164.62
    triacetin 120.84
    span 80 120.62
    1,4-butanediol 150.85
    1,1-dichloroethane 194.34
    2-methyl-1-pentanol 206.01
    methyl formate 229.99
    2-methyl-1-butanol 227.79
    n-decane 6.83
    butyronitrile 152.82
    3,7-dimethyl-1-octanol 83.02
    1-chlorooctane 29.85
    1-chlorotetradecane 12.18
    n-nonane 5.94
    undecane 5.2
    tert-butylcyclohexane 11.5
    cyclooctane 3.1
    cyclopentanol 118.46
    tetrahydropyran 119.86
    tert-amyl methyl ether 160.44
    2,5,8-trioxanonane 276.04
    1-hexene 34.66
    2-isopropoxyethanol 251.6
    2,2,2-trifluoroethanol 298.76
    methyl butyrate 120.03

    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
Colocasia esculenta (Taro) Colocasia esculenta (L.) Schott, fam. Araceae 0.1%