epsilon-DECALACTONE

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  • Identifiers

    CAS number
    5579-78-2

    Molecular formula
    C10H18O2

    SMILES
    CCCCC1CCCCC(=O)O1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 84.84%
    Coconut 80.83%
    Fatty 80.0%
    Creamy 78.85%
    Lactonic 66.28%
    Buttery 63.68%
    Coumarinic 63.06%
    Fruity 62.03%
    Milky 61.64%
    Dairy 59.03%

     

    Flavor
    Coconut 78.59%
    Sweet 77.95%
    Creamy 63.84%
    Peach 62.57%
    Fatty 54.11%
    Dairy 51.14%
    Tonka 48.59%
    Fruity 48.31%
    Buttery 44.12%
    Oily 43.2%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.99 (neutral)

    Molecular weight
    170.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    270°C

    Flash point

    • 109.66 ˚C est.

  • Synonyms

    • 7-Butyloxepan-2-one
    • Epsilon-decalactone
    • 7-Butyl-2-oxepanone
    • 5579-78-2
    • 2-OXEPANONE, 7-BUTYL-
    • 6-Butylhexanolide
    • e-decalactone
    • 6-decanolide
    • FEMA No. 3613
    • .epsilon.-Decalactone
    • 6-Hydroxydecanoic acid epsilon-lactone
    • EINECS 226-963-9
    • BRN 0117541
    • DTXSID8047551
    • 662W32KL4O
    • 2-OXEPANONE, 7-BUTYL
    • DTXCID6027551
    • 5-17-09-00089 (Beilstein Handbook Reference)
    • .EPSILON.-DECALACTONE [FHFI]
    • (+/-)-.EPSILON.-DECALACTONE
    • .EPSILON.-DECALACTONE, (+/-)-
    • 6-HYDROXYDECANOIC ACID .EPSILON.-LACTONE
    • UNII-662W32KL4O
    • FEMA 3613
    • 6-Butylhexan-6-olide
    • epsilon-Decalactone, >=99%
    • SCHEMBL192113
    • CHEMBL3185668
    • CHEBI:180234
    • (+/-)-EPSILON-DECALACTONE
    • 7-Butyl-2-oxepanone, 9CI, 8CI
    • Tox21_302462
    • EPSILON-DECALACTONE, (+/-)-
    • NCGC00256889-01
    • CAS-5579-78-2
    • NS00012059
    • G86106
    • Q27263941
    • 226-963-9

  • Applications

    ε-Decalactone (CAS 5579-78-2) is a creamy-peach, coconut-like lactone that finds broad application as a flavouring agent in foods, beverages, fermented dairy, ice cream, confectionery, baked goods and alcoholic drinks, where it imparts ripe-fruit, milky and tropical notes; in perfumery and cosmetics it is blended into fine fragrances, shampoos, lotions and lipsticks to give a soft fruity facet and improve smooth sweetness; the e-cigarette, functional beverage and premium animal feed sectors also exploit its FDA GRAS status to enhance palatability; recent research even explores ε-Decalactone as a bio-based monomer for biodegradable polymers and as a semiochemical for beneficial insect attraction, underscoring the versatile potential of this naturally occurring aroma compound in the flavour, fragrance, agricultural and biomaterials industries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8032.41
    methanol 9972.18
    isopropanol 5830.4
    water 0.88
    ethyl acetate 4830.04
    n-propanol 5689.32
    acetone 9169.13
    n-butanol 4389.75
    acetonitrile 6580.38
    DMF 7640.57
    toluene 2333.99
    isobutanol 3997.59
    1,4-dioxane 5656.79
    methyl acetate 3498.25
    THF 6944.16
    2-butanone 5065.13
    n-pentanol 2749.69
    sec-butanol 4319.24
    n-hexane 676.47
    ethylene glycol 787.03
    NMP 5087.54
    cyclohexane 1059.58
    DMSO 8314.19
    n-butyl acetate 3160.15
    n-octanol 972.68
    chloroform 14619.33
    n-propyl acetate 2659.33
    acetic acid 5170.56
    dichloromethane 11373.14
    cyclohexanone 7458.63
    propylene glycol 1216.92
    isopropyl acetate 2568.99
    DMAc 3400.63
    2-ethoxyethanol 2359.73
    isopentanol 3293.56
    n-heptane 217.49
    ethyl formate 3064.91
    1,2-dichloroethane 6774.48
    n-hexanol 2421.42
    2-methoxyethanol 4310.63
    isobutyl acetate 1472.46
    tetrachloromethane 1638.75
    n-pentyl acetate 1808.55
    transcutol 6556.8
    n-heptanol 851.39
    ethylbenzene 959.03
    MIBK 1926.29
    2-propoxyethanol 2701.89
    tert-butanol 4384.65
    MTBE 3775.15
    2-butoxyethanol 1450.48
    propionic acid 4154.81
    o-xylene 979.58
    formic acid 1432.46
    diethyl ether 4663.49
    m-xylene 1084.6
    p-xylene 1345.08
    chlorobenzene 4134.5
    dimethyl carbonate 929.98
    n-octane 96.68
    formamide 2084.71
    cyclopentanone 6826.61
    2-pentanone 4086.5
    anisole 1842.65
    cyclopentyl methyl ether 3219.24
    gamma-butyrolactone 6956.33
    1-methoxy-2-propanol 2828.52
    pyridine 8687.82
    3-pentanone 2600.19
    furfural 5176.35
    n-dodecane 73.14
    diethylene glycol 1643.11
    diisopropyl ether 932.97
    tert-amyl alcohol 3128.41
    acetylacetone 3410.66
    n-hexadecane 87.99
    acetophenone 1652.69
    methyl propionate 2882.6
    isopentyl acetate 2334.34
    trichloroethylene 11195.96
    n-nonanol 751.37
    cyclohexanol 3751.42
    benzyl alcohol 1782.66
    2-ethylhexanol 1144.34
    isooctanol 664.58
    dipropyl ether 1337.41
    1,2-dichlorobenzene 2791.18
    ethyl lactate 742.08
    propylene carbonate 3444.22
    n-methylformamide 4436.7
    2-pentanol 2565.0
    n-pentane 488.91
    1-propoxy-2-propanol 1919.24
    1-methoxy-2-propyl acetate 1728.36
    2-(2-methoxypropoxy) propanol 1095.38
    mesitylene 632.95
    ε-caprolactone 5516.21
    p-cymene 448.8
    epichlorohydrin 6421.6
    1,1,1-trichloroethane 5820.61
    2-aminoethanol 1982.99
    morpholine-4-carbaldehyde 3938.53
    sulfolane 6572.08
    2,2,4-trimethylpentane 176.05
    2-methyltetrahydrofuran 5814.33
    n-hexyl acetate 2209.75
    isooctane 144.09
    2-(2-butoxyethoxy)ethanol 1752.7
    sec-butyl acetate 1534.1
    tert-butyl acetate 2025.33
    decalin 323.35
    glycerin 1288.84
    diglyme 3113.08
    acrylic acid 3217.95
    isopropyl myristate 616.77
    n-butyric acid 5884.75
    acetyl acetate 2239.13
    di(2-ethylhexyl) phthalate 583.51
    ethyl propionate 1902.2
    nitromethane 7198.53
    1,2-diethoxyethane 2504.05
    benzonitrile 3603.9
    trioctyl phosphate 413.27
    1-bromopropane 4765.15
    gamma-valerolactone 6551.31
    n-decanol 493.05
    triethyl phosphate 504.95
    4-methyl-2-pentanol 1059.05
    propionitrile 4965.9
    vinylene carbonate 3374.36
    1,1,2-trichlorotrifluoroethane 4006.52
    DMS 1361.62
    cumene 539.83
    2-octanol 654.86
    2-hexanone 2718.87
    octyl acetate 823.41
    limonene 757.94
    1,2-dimethoxyethane 4489.92
    ethyl orthosilicate 504.82
    tributyl phosphate 573.46
    diacetone alcohol 1827.51
    N,N-dimethylaniline 987.21
    acrylonitrile 5632.35
    aniline 3175.84
    1,3-propanediol 2739.78
    bromobenzene 4564.91
    dibromomethane 8202.11
    1,1,2,2-tetrachloroethane 8965.84
    2-methyl-cyclohexyl acetate 963.82
    tetrabutyl urea 708.03
    diisobutyl methanol 558.38
    2-phenylethanol 1559.08
    styrene 1733.46
    dioctyl adipate 876.04
    dimethyl sulfate 1336.37
    ethyl butyrate 1517.65
    methyl lactate 987.15
    butyl lactate 1108.68
    diethyl carbonate 912.38
    propanediol butyl ether 1440.14
    triethyl orthoformate 887.05
    p-tert-butyltoluene 411.18
    methyl 4-tert-butylbenzoate 1059.41
    morpholine 7324.56
    tert-butylamine 2861.6
    n-dodecanol 346.93
    dimethoxymethane 2697.18
    ethylene carbonate 3067.71
    cyrene 921.17
    2-ethoxyethyl acetate 1890.6
    2-ethylhexyl acetate 1696.54
    1,2,4-trichlorobenzene 2972.27
    4-methylpyridine 7235.21
    dibutyl ether 1451.8
    2,6-dimethyl-4-heptanol 558.38
    DEF 3947.7
    dimethyl isosorbide 1593.27
    tetrachloroethylene 5825.58
    eugenol 1079.74
    triacetin 1444.04
    span 80 1190.25
    1,4-butanediol 1075.33
    1,1-dichloroethane 7987.37
    2-methyl-1-pentanol 2054.9
    methyl formate 2639.3
    2-methyl-1-butanol 2935.71
    n-decane 139.9
    butyronitrile 5221.81
    3,7-dimethyl-1-octanol 870.53
    1-chlorooctane 713.37
    1-chlorotetradecane 222.9
    n-nonane 147.99
    undecane 96.05
    tert-butylcyclohexane 258.94
    cyclooctane 220.99
    cyclopentanol 4010.43
    tetrahydropyran 8144.64
    tert-amyl methyl ether 1930.13
    2,5,8-trioxanonane 1787.88
    1-hexene 2507.78
    2-isopropoxyethanol 1607.35
    2,2,2-trifluoroethanol 1079.4
    methyl butyrate 3196.59

    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