2(3H)-Furanone, dihydro-5-methyl-3-(2-methylpropyl)-

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  • Identifiers

    CAS number
    72845-84-2

    Molecular formula
    C9H16O2

    SMILES
    C[C@@H]1C[C@H](C(=O)O1)CC(C)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 55.14%
    Mint 51.5%
    Sweet 50.0%
    Spicy 40.5%
    Lactonic 38.67%
    Celery 35.08%
    Coconut 34.35%
    Fresh 32.2%
    Coumarinic 30.87%
    Woody 30.72%

     

    Flavor
    Minty 40.77%
    Herbal 38.65%
    Green 32.71%
    Spice 28.36%
    Sweet 27.87%
    Fruity 27.73%
    Tropical 26.91%
    Fresh 25.07%
    Mint 22.53%
    Musty 22.31%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    8.14 (weak base)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    230°C

    Flash point

    • 81.88 ˚C est.

  • Synonyms

    • 2-Isobutyl-gamma-valerolactone
    • 2(3H)-Furanone, dihydro-5-methyl-3-(2-methylpropyl)-
    • 72845-84-2
    • DTXSID20888286
    • RefChem:439889
    • DTXCID801027566
    • 72845-84-2

  • Applications

    2(3H)-Furanone, dihydro-5-methyl-3-(2-methylpropyl)- (CAS 72845-84-2) is a saturated gamma-lactone derivative commonly used as an odorant in perfumery and as a fragrance ingredient. It may also serve as a flavor/aroma precursor in food flavor formulations. In cosmetics and personal care products, it may function as a fragrance component. In household products and air-care formulations, it can contribute scent profiles as an aroma additive. Additionally, it is often used as an intermediate in organic synthesis for the preparation of more complex fragrance or specialty chemicals used in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 672.02
    methanol 841.09
    isopropanol 713.02
    water 3.06
    ethyl acetate 191.92
    n-propanol 555.73
    acetone 292.73
    n-butanol 529.78
    acetonitrile 291.38
    DMF 433.2
    toluene 214.58
    isobutanol 466.05
    1,4-dioxane 532.92
    methyl acetate 205.57
    THF 710.28
    2-butanone 282.98
    n-pentanol 380.24
    sec-butanol 552.16
    n-hexane 48.5
    ethylene glycol 167.31
    NMP 360.87
    cyclohexane 76.18
    DMSO 302.35
    n-butyl acetate 262.44
    n-octanol 236.77
    chloroform 1350.2
    n-propyl acetate 141.33
    acetic acid 386.33
    dichloromethane 818.14
    cyclohexanone 447.5
    propylene glycol 291.73
    isopropyl acetate 159.02
    DMAc 339.58
    2-ethoxyethanol 306.71
    isopentanol 439.1
    n-heptane 36.52
    ethyl formate 215.0
    1,2-dichloroethane 331.44
    n-hexanol 527.61
    2-methoxyethanol 513.45
    isobutyl acetate 125.08
    tetrachloromethane 174.37
    n-pentyl acetate 167.47
    transcutol 563.14
    n-heptanol 218.49
    ethylbenzene 132.5
    MIBK 180.88
    2-propoxyethanol 502.09
    tert-butanol 620.53
    MTBE 324.51
    2-butoxyethanol 274.54
    propionic acid 299.43
    o-xylene 150.57
    formic acid 140.58
    diethyl ether 224.81
    m-xylene 165.97
    p-xylene 176.76
    chlorobenzene 284.35
    dimethyl carbonate 70.73
    n-octane 19.69
    formamide 122.94
    cyclopentanone 422.37
    2-pentanone 233.65
    anisole 221.3
    cyclopentyl methyl ether 262.59
    gamma-butyrolactone 427.16
    1-methoxy-2-propanol 437.08
    pyridine 431.73
    3-pentanone 141.06
    furfural 470.55
    n-dodecane 24.21
    diethylene glycol 368.45
    diisopropyl ether 82.88
    tert-amyl alcohol 462.78
    acetylacetone 209.34
    n-hexadecane 26.89
    acetophenone 196.08
    methyl propionate 149.15
    isopentyl acetate 257.92
    trichloroethylene 673.67
    n-nonanol 190.08
    cyclohexanol 411.33
    benzyl alcohol 241.9
    2-ethylhexanol 236.8
    isooctanol 171.32
    dipropyl ether 143.43
    1,2-dichlorobenzene 247.0
    ethyl lactate 115.91
    propylene carbonate 319.26
    n-methylformamide 222.84
    2-pentanol 354.84
    n-pentane 53.43
    1-propoxy-2-propanol 354.52
    1-methoxy-2-propyl acetate 223.98
    2-(2-methoxypropoxy) propanol 255.42
    mesitylene 107.59
    ε-caprolactone 382.56
    p-cymene 109.41
    epichlorohydrin 476.57
    1,1,1-trichloroethane 411.26
    2-aminoethanol 332.29
    morpholine-4-carbaldehyde 418.65
    sulfolane 421.43
    2,2,4-trimethylpentane 35.57
    2-methyltetrahydrofuran 482.65
    n-hexyl acetate 268.36
    isooctane 29.53
    2-(2-butoxyethoxy)ethanol 310.76
    sec-butyl acetate 120.71
    tert-butyl acetate 176.79
    decalin 44.48
    glycerin 295.89
    diglyme 435.19
    acrylic acid 245.93
    isopropyl myristate 112.0
    n-butyric acid 411.81
    acetyl acetate 142.53
    di(2-ethylhexyl) phthalate 142.35
    ethyl propionate 114.88
    nitromethane 304.0
    1,2-diethoxyethane 204.25
    benzonitrile 342.37
    trioctyl phosphate 102.97
    1-bromopropane 319.53
    gamma-valerolactone 543.22
    n-decanol 143.98
    triethyl phosphate 94.78
    4-methyl-2-pentanol 197.81
    propionitrile 308.87
    vinylene carbonate 305.62
    1,1,2-trichlorotrifluoroethane 399.13
    DMS 158.01
    cumene 106.59
    2-octanol 165.01
    2-hexanone 189.34
    octyl acetate 153.71
    limonene 150.5
    1,2-dimethoxyethane 410.99
    ethyl orthosilicate 91.82
    tributyl phosphate 110.95
    diacetone alcohol 245.27
    N,N-dimethylaniline 161.01
    acrylonitrile 332.73
    aniline 258.08
    1,3-propanediol 418.41
    bromobenzene 294.39
    dibromomethane 595.2
    1,1,2,2-tetrachloroethane 607.01
    2-methyl-cyclohexyl acetate 165.88
    tetrabutyl urea 136.72
    diisobutyl methanol 126.95
    2-phenylethanol 282.54
    styrene 155.11
    dioctyl adipate 151.67
    dimethyl sulfate 115.5
    ethyl butyrate 150.71
    methyl lactate 139.74
    butyl lactate 166.71
    diethyl carbonate 117.79
    propanediol butyl ether 310.4
    triethyl orthoformate 119.25
    p-tert-butyltoluene 108.6
    methyl 4-tert-butylbenzoate 206.96
    morpholine 612.66
    tert-butylamine 396.6
    n-dodecanol 113.34
    dimethoxymethane 234.52
    ethylene carbonate 241.16
    cyrene 214.52
    2-ethoxyethyl acetate 184.49
    2-ethylhexyl acetate 192.28
    1,2,4-trichlorobenzene 290.44
    4-methylpyridine 446.99
    dibutyl ether 141.85
    2,6-dimethyl-4-heptanol 126.95
    DEF 207.4
    dimethyl isosorbide 332.28
    tetrachloroethylene 375.16
    eugenol 223.66
    triacetin 200.86
    span 80 269.37
    1,4-butanediol 211.37
    1,1-dichloroethane 477.89
    2-methyl-1-pentanol 341.11
    methyl formate 167.31
    2-methyl-1-butanol 405.07
    n-decane 34.26
    butyronitrile 384.74
    3,7-dimethyl-1-octanol 213.53
    1-chlorooctane 123.68
    1-chlorotetradecane 59.11
    n-nonane 32.51
    undecane 27.76
    tert-butylcyclohexane 46.39
    cyclooctane 25.99
    cyclopentanol 439.16
    tetrahydropyran 493.0
    tert-amyl methyl ether 218.17
    2,5,8-trioxanonane 334.94
    1-hexene 167.95
    2-isopropoxyethanol 236.39
    2,2,2-trifluoroethanol 118.61
    methyl butyrate 170.65

    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