3-Heptyldihydro-5-methyl-2(3H)-furanone

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  • Identifiers

    CAS number
    40923-64-6

    Molecular formula
    C12H22O2

    SMILES
    CCCCCCCC1CC(OC1=O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 78.63%
    Sweet 70.27%
    Fatty 68.83%
    Green 66.61%
    Waxy 66.24%
    Coconut 65.59%
    Floral 65.16%
    Peach 62.12%
    Creamy 61.47%
    Lactonic 58.47%

     

    Flavor
    Waxy 59.79%
    Creamy 59.25%
    Coconut 58.53%
    Fatty 57.93%
    Peach 57.58%
    Fruity 55.9%
    Oily 53.11%
    Sweet 48.23%
    Fresh 44.24%
    Dairy 35.8%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.15 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 170.00 °C. @ 17.00 mm Hg

    Flash point

    • 111.79 ˚C est.

  • Synonyms

    • 3-Heptyldihydro-5-methyl-2(3H)-furanone
    • 40923-64-6
    • 3-heptyl-5-methyloxolan-2-one
    • FEMA No. 3350
    • 3-Heptyldihydro-5-methylfuran-2(3H)-one
    • 2(3H)-Furanone, 3-heptyldihydro-5-methyl-
    • alpha-Heptyl-gamma-valerolactone
    • UNII-B5Z5UJR56Z
    • B5Z5UJR56Z
    • EINECS 255-141-2
    • DTXSID80866025
    • .ALPHA.-HEPTYL-.GAMMA.-VALEROLACTONE
    • 3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURANONE [FHFI]
    • (+/-)-3-HEPTYLDIHYDRO-5-METHYL-2(3H)-FURANONE
    • SCHEMBL3504590
    • FEMA 3350
    • DTXCID60814367
    • CHEBI:171832
    • AKOS006279437
    • 3-heptyl-5-methyldihydro-2(3H)-furanone
    • 3-heptyl dihydro-5-methyl-2(3H)-furanone
    • NS00056877
    • Q27274411

  • Applications

    3-Heptyldihydro-5-methyl-2(3H)-furanone (CAS 40923-64-6) is primarily used as a fragrance ingredient and odorant in the fragrance and flavor industry, imparting fruity-sweet notes and is commonly evaluated for inclusion in perfumery formulations and aroma formulations in cosmetics. It is also considered a potential aroma component in personal care products and cosmetics, contributing to longevity and distinctive odor profiles. Additionally, the compound may appear as a fragrance ingredient in household products such as detergents, fabric softeners, and cleaners to supply scent. In industrial manufacturing, it can function as an intermediate or building block for synthesis of lactone-derived aroma compounds and related fragrance chemicals. In fragrance formulation development, it may be used as an intermediate or precursor to expand the repertoire of lactone-based aroma molecules.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11108.53
    methanol 11602.14
    isopropanol 11147.0
    water 0.26
    ethyl acetate 11279.33
    n-propanol 8658.82
    acetone 15822.17
    n-butanol 7545.82
    acetonitrile 11438.02
    DMF 7900.17
    toluene 2792.79
    isobutanol 7154.19
    1,4-dioxane 9498.35
    methyl acetate 7169.42
    THF 12034.0
    2-butanone 9476.0
    n-pentanol 4525.22
    sec-butanol 7653.22
    n-hexane 914.2
    ethylene glycol 614.41
    NMP 4498.09
    cyclohexane 1228.06
    DMSO 7202.39
    n-butyl acetate 7135.14
    n-octanol 1389.48
    chloroform 14671.15
    n-propyl acetate 6212.58
    acetic acid 4918.27
    dichloromethane 13548.5
    cyclohexanone 10932.03
    propylene glycol 1397.88
    isopropyl acetate 7494.7
    DMAc 4328.46
    2-ethoxyethanol 4415.57
    isopentanol 6753.88
    n-heptane 244.61
    ethyl formate 4929.02
    1,2-dichloroethane 8781.43
    n-hexanol 3855.15
    2-methoxyethanol 7471.85
    isobutyl acetate 3589.54
    tetrachloromethane 1895.88
    n-pentyl acetate 3334.59
    transcutol 11899.84
    n-heptanol 1346.63
    ethylbenzene 1257.54
    MIBK 4688.28
    2-propoxyethanol 5454.81
    tert-butanol 9707.44
    MTBE 11401.43
    2-butoxyethanol 2564.85
    propionic acid 4498.52
    o-xylene 1271.75
    formic acid 1017.66
    diethyl ether 11508.84
    m-xylene 1606.0
    p-xylene 1696.86
    chlorobenzene 4239.33
    dimethyl carbonate 1482.72
    n-octane 122.12
    formamide 1795.16
    cyclopentanone 8795.79
    2-pentanone 9244.93
    anisole 2737.4
    cyclopentyl methyl ether 6033.99
    gamma-butyrolactone 8749.67
    1-methoxy-2-propanol 6114.88
    pyridine 7836.79
    3-pentanone 4709.0
    furfural 5313.0
    n-dodecane 92.6
    diethylene glycol 2509.98
    diisopropyl ether 2686.25
    tert-amyl alcohol 6673.87
    acetylacetone 6898.96
    n-hexadecane 115.5
    acetophenone 2201.45
    methyl propionate 5438.01
    isopentyl acetate 5695.84
    trichloroethylene 13217.0
    n-nonanol 1120.02
    cyclohexanol 5575.31
    benzyl alcohol 2070.06
    2-ethylhexanol 2016.47
    isooctanol 1147.95
    dipropyl ether 2858.94
    1,2-dichlorobenzene 3159.51
    ethyl lactate 1305.09
    propylene carbonate 4645.42
    n-methylformamide 4417.1
    2-pentanol 5492.44
    n-pentane 632.15
    1-propoxy-2-propanol 4043.14
    1-methoxy-2-propyl acetate 4406.79
    2-(2-methoxypropoxy) propanol 1861.4
    mesitylene 1002.22
    ε-caprolactone 8098.63
    p-cymene 617.04
    epichlorohydrin 9920.18
    1,1,1-trichloroethane 8349.39
    2-aminoethanol 2177.49
    morpholine-4-carbaldehyde 4969.18
    sulfolane 6797.32
    2,2,4-trimethylpentane 284.06
    2-methyltetrahydrofuran 10464.85
    n-hexyl acetate 4072.34
    isooctane 269.95
    2-(2-butoxyethoxy)ethanol 2942.35
    sec-butyl acetate 4174.43
    tert-butyl acetate 5832.43
    decalin 460.95
    glycerin 1338.19
    diglyme 5267.37
    acrylic acid 2542.04
    isopropyl myristate 1090.54
    n-butyric acid 8803.77
    acetyl acetate 4356.48
    di(2-ethylhexyl) phthalate 831.14
    ethyl propionate 4385.68
    nitromethane 8186.45
    1,2-diethoxyethane 6027.32
    benzonitrile 3691.49
    trioctyl phosphate 613.02
    1-bromopropane 6904.91
    gamma-valerolactone 9587.19
    n-decanol 754.95
    triethyl phosphate 788.3
    4-methyl-2-pentanol 2406.72
    propionitrile 7979.29
    vinylene carbonate 3930.53
    1,1,2-trichlorotrifluoroethane 4624.84
    DMS 2284.88
    cumene 807.45
    2-octanol 1089.04
    2-hexanone 5381.97
    octyl acetate 1350.02
    limonene 1139.07
    1,2-dimethoxyethane 8296.19
    ethyl orthosilicate 831.06
    tributyl phosphate 882.14
    diacetone alcohol 4052.08
    N,N-dimethylaniline 1370.45
    acrylonitrile 6962.16
    aniline 3579.89
    1,3-propanediol 3651.78
    bromobenzene 4749.88
    dibromomethane 9792.97
    1,1,2,2-tetrachloroethane 10371.4
    2-methyl-cyclohexyl acetate 1766.13
    tetrabutyl urea 1007.61
    diisobutyl methanol 1002.48
    2-phenylethanol 2060.47
    styrene 1989.61
    dioctyl adipate 1365.18
    dimethyl sulfate 1723.54
    ethyl butyrate 3219.72
    methyl lactate 1622.35
    butyl lactate 1856.13
    diethyl carbonate 1686.0
    propanediol butyl ether 2098.5
    triethyl orthoformate 1717.14
    p-tert-butyltoluene 603.88
    methyl 4-tert-butylbenzoate 1536.75
    morpholine 12841.39
    tert-butylamine 5820.35
    n-dodecanol 525.03
    dimethoxymethane 5324.17
    ethylene carbonate 4101.82
    cyrene 1215.94
    2-ethoxyethyl acetate 3725.73
    2-ethylhexyl acetate 3688.72
    1,2,4-trichlorobenzene 3384.3
    4-methylpyridine 8147.46
    dibutyl ether 2840.54
    2,6-dimethyl-4-heptanol 1002.48
    DEF 7076.27
    dimethyl isosorbide 2677.46
    tetrachloroethylene 6105.81
    eugenol 1436.61
    triacetin 2280.74
    span 80 1681.86
    1,4-butanediol 1352.82
    1,1-dichloroethane 11442.69
    2-methyl-1-pentanol 3789.83
    methyl formate 2836.64
    2-methyl-1-butanol 5887.41
    n-decane 185.27
    butyronitrile 9484.07
    3,7-dimethyl-1-octanol 1563.21
    1-chlorooctane 1032.31
    1-chlorotetradecane 338.39
    n-nonane 185.94
    undecane 124.99
    tert-butylcyclohexane 417.62
    cyclooctane 283.18
    cyclopentanol 5327.53
    tetrahydropyran 13424.73
    tert-amyl methyl ether 5153.83
    2,5,8-trioxanonane 2907.41
    1-hexene 4063.47
    2-isopropoxyethanol 3421.24
    2,2,2-trifluoroethanol 1152.99
    methyl butyrate 6573.13

    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