gamma-Octalactone

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  • Identifiers

    CAS number
    104-50-7

    Molecular formula
    C8H14O2

    SMILES
    CCCCC1CCC(=O)O1

    Retention indicies (RI)

    • DB5: 1278.0
    • Carbowax: 1896.86

  • Odor profile

    Sweet 84.98%
    Coconut 84.03%
    Creamy 79.81%
    Fatty 78.55%
    Lactonic 70.83%
    Coumarinic 67.1%
    Buttery 65.19%
    Milky 61.96%
    Dairy 59.13%
    Oily 57.86%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.19 (weak base)

    Molecular weight
    142.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point

    • 234.00 °C. @ 760.00 mm Hg

    Flash point est.
    86.72 ˚C

    Solubility expt.

    • slightly
    • soluble in alcohol and slightly soluble in water

  • Synonyms

    • GAMMA-OCTALACTONE
    • 104-50-7
    • gamma-Octanoic lactone
    • 5-Butyldihydrofuran-2(3H)-one
    • 4-Octanolide
    • 5-butyloxolan-2-one
    • 2(3H)-Furanone, 5-butyldihydro-
    • 4-Hydroxyoctanoic acid lactone
    • Octan-4-olide
    • Octanolide-1,4
    • 8-Oxo-5-octanolide
    • gamma-Octanolactone
    • 5-Butyldihydro-2(3H)-furanone
    • 5-Butyltetrahydro-2-furanone
    • gamma-Butyl-gamma-butyrolactone
    • .gamma.-Octalactone
    • Octano-1,4-lactone
    • 4-Butyl-gamma-butyrolactone
    • gamma-N-Butyl-gamma-butyrolactone
    • Octanoic acid, gamma lactone
    • Gamma Octalactone
    • 2(3H)-Furanone, dihydro-5-butyl-
    • FEMA No. 2796
    • gamma-Octalactone (natural)
    • NSC 24270
    • 4-Butyl-4-hydroxybutyric acid lactone
    • g-Octalactone
    • gamma-octanolide
    • EINECS 203-208-1
    • Octanoic acid, 4-hydroxy-, lactone
    • UHD6M52X0K
    • (r)-4-octanolide
    • BRN 0111677
    • .gamma.-Octanolactone
    • DTXSID1047609
    • AI3-35896
    • gamma-Butylbutyrolactone
    • .gamma.-Butyl-.gamma.-butyrolactone
    • MFCD00005402
    • NSC-24270
    • NSC-26509
    • .gamma.-Butylbutyrolactone
    • 4-Butyl-.gamma.-butyrolactone
    • GAMMA-OCTALACTONE [FCC]
    • Octanoic acid, .gamma. lactone
    • DTXCID9027609
    • Octanoic acid, 4-hydroxy-, .gamma.-lactone
    • IPBFYZQJXZJBFQ-UHFFFAOYSA-
    • CHEBI:145738
    • dihydro-5-butyl-2(3H)-furanone
    • (RS)-.GAMMA.-OCTALACTONE
    • 5-Butyl-dihydrofuran-2(3H)-one
    • .GAMMA.-OCTALACTONE [FHFI]
    • 5-17-09-00073 (Beilstein Handbook Reference)
    • .gamma.-N-Butyl-.gamma.-butyrolactone
    • 4-Hydroxyoctanoic acid, .gamma.-lactone
    • WLN: T5OVTJ E4
    • Octanoic acid, .gamma.-lactone
    • UNII-UHD6M52X0K
    • -Octanolactone
    • .gamma. -0ctalactone
    • gamma -Octanoic lactone
    • Octanoic acid, 4-hydroxy-, lactone (6CI)
    • gamma-Octanoic lactone, 97%
    • SCHEMBL111822
    • (RS)-GAMMA-OCTALACTONE
    • 5-Butylhydro-2(3H)-furanone
    • 5-butyl-tetrahydro-furan-2-one
    • CHEMBL3559967
    • FEMA 2796
    • 5-Butyldihydro-2(3H)-furanone #
    • NSC24270
    • NSC26509
    • Tox21_302569
    • AC2057
    • LMFA07040016
    • gamma-Octalactone, analytical standard
    • AKOS015904720
    • CS-W018278
    • FO03392
    • gamma-Octalactone, >=97%, FCC, FG
    • NCGC00256744-01
    • BS-14348
    • CAS-104-50-7
    • gamma-Octalactone, natural, >=97%, FG
    • Octanoic acid, 4-hydroxy-, gamma-lactone
    • SY015123
    • H0232
    • NS00013082
    • EN300-253946
    • Q27291078

  • Applications

    γ-Octalactone (CAS 104-50-7) is a creamy, coconut- and peach-like flavor compound widely used to round off taste profiles in foods—especially confectionery, dairy, ice cream, alcoholic and non-alcoholic drinks—while adding depth and richness to flavor blends; in perfumery it is incorporated into fruity, tropical and gourmand accords to impart warmth and comfort; it also appears in personal-care products such as soaps, shampoos, shower gels, scented candles and deodorants to recreate a sweet, smooth sensation, and is occasionally employed as a reference substance in aroma analysis to calibrate gas chromatography systems or assess fruit ripeness.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2462.24
    methanol 3409.98
    isopropanol 1718.68
    water 1.29
    ethyl acetate 1303.97
    n-propanol 1550.1
    acetone 3003.3
    n-butanol 1296.16
    acetonitrile 1953.25
    DMF 2576.11
    toluene 646.8
    isobutanol 1124.15
    1,4-dioxane 1782.45
    methyl acetate 1232.96
    THF 2575.99
    2-butanone 1792.26
    n-pentanol 931.54
    sec-butanol 1239.8
    n-hexane 122.88
    ethylene glycol 475.44
    NMP 1891.42
    cyclohexane 150.17
    DMSO 3957.24
    n-butyl acetate 1092.93
    n-octanol 405.32
    chloroform 4249.11
    n-propyl acetate 862.63
    acetic acid 1972.71
    dichloromethane 3665.66
    cyclohexanone 2177.66
    propylene glycol 696.28
    isopropyl acetate 821.88
    DMAc 1499.33
    2-ethoxyethanol 1022.39
    isopentanol 1192.17
    n-heptane 48.39
    ethyl formate 941.38
    1,2-dichloroethane 1927.29
    n-hexanol 899.35
    2-methoxyethanol 1829.16
    isobutyl acetate 541.6
    tetrachloromethane 474.34
    n-pentyl acetate 579.66
    transcutol 4027.84
    n-heptanol 334.28
    ethylbenzene 366.53
    MIBK 725.13
    2-propoxyethanol 1221.13
    tert-butanol 1553.83
    MTBE 1101.89
    2-butoxyethanol 652.47
    propionic acid 1398.8
    o-xylene 365.57
    formic acid 663.51
    diethyl ether 987.49
    m-xylene 426.15
    p-xylene 490.42
    chlorobenzene 1227.3
    dimethyl carbonate 400.28
    n-octane 21.72
    formamide 931.67
    cyclopentanone 2417.08
    2-pentanone 1349.54
    anisole 841.89
    cyclopentyl methyl ether 1042.59
    gamma-butyrolactone 2464.2
    1-methoxy-2-propanol 1353.21
    pyridine 2087.18
    3-pentanone 786.48
    furfural 2218.04
    n-dodecane 21.5
    diethylene glycol 916.39
    diisopropyl ether 274.52
    tert-amyl alcohol 1169.39
    acetylacetone 1418.1
    n-hexadecane 25.52
    acetophenone 792.62
    methyl propionate 895.1
    isopentyl acetate 907.66
    trichloroethylene 3754.43
    n-nonanol 314.94
    cyclohexanol 1071.65
    benzyl alcohol 771.49
    2-ethylhexanol 468.91
    isooctanol 280.91
    dipropyl ether 417.67
    1,2-dichlorobenzene 1004.7
    ethyl lactate 380.56
    propylene carbonate 1325.07
    n-methylformamide 1524.25
    2-pentanol 803.64
    n-pentane 90.51
    1-propoxy-2-propanol 892.55
    1-methoxy-2-propyl acetate 818.58
    2-(2-methoxypropoxy) propanol 700.72
    mesitylene 248.15
    ε-caprolactone 1605.46
    p-cymene 193.05
    epichlorohydrin 2411.83
    1,1,1-trichloroethane 1789.7
    2-aminoethanol 979.58
    morpholine-4-carbaldehyde 1753.55
    sulfolane 2866.64
    2,2,4-trimethylpentane 57.94
    2-methyltetrahydrofuran 1897.53
    n-hexyl acetate 897.79
    isooctane 49.08
    2-(2-butoxyethoxy)ethanol 1034.92
    sec-butyl acetate 568.58
    tert-butyl acetate 800.41
    decalin 90.79
    glycerin 788.11
    diglyme 1644.12
    acrylic acid 1257.95
    isopropyl myristate 263.1
    n-butyric acid 1735.31
    acetyl acetate 778.59
    di(2-ethylhexyl) phthalate 306.26
    ethyl propionate 659.5
    nitromethane 2709.87
    1,2-diethoxyethane 988.12
    benzonitrile 1251.09
    trioctyl phosphate 197.46
    1-bromopropane 1208.51
    gamma-valerolactone 2446.74
    n-decanol 215.31
    triethyl phosphate 232.89
    4-methyl-2-pentanol 449.32
    propionitrile 1258.15
    vinylene carbonate 1279.86
    1,1,2-trichlorotrifluoroethane 1700.86
    DMS 672.76
    cumene 249.89
    2-octanol 253.97
    2-hexanone 980.28
    octyl acetate 357.76
    limonene 282.85
    1,2-dimethoxyethane 1626.18
    ethyl orthosilicate 223.51
    tributyl phosphate 288.23
    diacetone alcohol 906.89
    N,N-dimethylaniline 488.98
    acrylonitrile 1673.98
    aniline 1008.1
    1,3-propanediol 1150.76
    bromobenzene 1356.07
    dibromomethane 2372.24
    1,1,2,2-tetrachloroethane 2855.36
    2-methyl-cyclohexyl acetate 454.58
    tetrabutyl urea 344.86
    diisobutyl methanol 249.11
    2-phenylethanol 686.35
    styrene 550.04
    dioctyl adipate 421.03
    dimethyl sulfate 671.83
    ethyl butyrate 582.12
    methyl lactate 521.15
    butyl lactate 515.33
    diethyl carbonate 377.44
    propanediol butyl ether 855.11
    triethyl orthoformate 344.6
    p-tert-butyltoluene 186.92
    methyl 4-tert-butylbenzoate 562.94
    morpholine 2207.44
    tert-butylamine 947.26
    n-dodecanol 150.64
    dimethoxymethane 1067.73
    ethylene carbonate 979.41
    cyrene 545.51
    2-ethoxyethyl acetate 783.86
    2-ethylhexyl acetate 636.61
    1,2,4-trichlorobenzene 1206.51
    4-methylpyridine 1998.4
    dibutyl ether 458.45
    2,6-dimethyl-4-heptanol 249.11
    DEF 1201.69
    dimethyl isosorbide 918.76
    tetrachloroethylene 1715.78
    eugenol 606.36
    triacetin 780.57
    span 80 633.18
    1,4-butanediol 505.2
    1,1-dichloroethane 2226.52
    2-methyl-1-pentanol 860.16
    methyl formate 1046.71
    2-methyl-1-butanol 1035.44
    n-decane 37.48
    butyronitrile 1371.2
    3,7-dimethyl-1-octanol 449.1
    1-chlorooctane 239.25
    1-chlorotetradecane 82.07
    n-nonane 36.87
    undecane 27.45
    tert-butylcyclohexane 84.46
    cyclooctane 42.58
    cyclopentanol 1240.25
    tetrahydropyran 1901.7
    tert-amyl methyl ether 664.76
    2,5,8-trioxanonane 1039.27
    1-hexene 585.31
    2-isopropoxyethanol 751.69
    2,2,2-trifluoroethanol 500.57
    methyl butyrate 1019.58

    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
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.04%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.03%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 0.02%
Rhus coriaria Rhus coriaria L., fam. Anarcadiaceae 0.15%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.06%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 1.03%
Soursop, wild fruit Annona montana Macf., fam. Annonaceae 0.01%