4-Hexanolide

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    695-06-7

    Molecular formula
    C6H10O2

    SMILES
    CCC1CCC(=O)O1

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1064.0
    • Carbowax: 1693.14

  • Odor profile

    Coconut 75.54%
    Coumarinic 72.19%
    Sweet 69.26%
    Lactonic 60.29%
    Herbal 60.06%
    Creamy 58.75%
    Nutty 51.87%
    Spicy 51.09%
    Caramellic 50.51%
    Hay 49.99%

    Scent© AI

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    8.26 (weak base)

    Molecular weight
    114.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Melting point expt.

    • -18 °C

    Boiling point

    • 100.00 to 102.00 °C. @ 18.00 mm Hg

    Flash point est.
    65.51 ˚C

    Solubility expt.

    • slightly
    • 1 ml in 1 ml 95% alcohol (in ethanol)

  • Synonyms

    • gamma-Caprolactone
    • 695-06-7
    • gamma-Hexalactone
    • gamma-Hexanolactone
    • 4-Hexanolide
    • 6-Caprolactone
    • 5-Ethyldihydrofuran-2(3H)-one
    • 5-ethyloxolan-2-one
    • Tonkalide
    • Toukalide
    • 2(3H)-Furanone, 5-ethyldihydro-
    • Hexanolide-1,4
    • Hexan-4-olide
    • 4-Ethyl-4-butanolide
    • 4-Hydroxyhexanoic acid lactone
    • gamma-Ethylbutyrolactone
    • 5-Ethyltetrahydro-2-furanone
    • .gamma.-Caprolactone
    • gamma-Ethyl-n-butyrolactone
    • 5-ETHYLDIHYDRO-2(3H)-FURANONE
    • .gamma.-Hexalactone
    • FEMA No. 2556
    • .gamma.-Ethylbutyrolactone
    • NSC 24255
    • Frutinal
    • NSC 134769
    • Dihydro-5-ethyl-2(3H)-furanone
    • .gamma.-Ethyl-.gamma.-butyrolactone
    • EINECS 211-778-8
    • MFCD00005401
    • 4-Ethyl-4-hydroxybutanoic acid lactone
    • BRN 0107260
    • gamma-Ethyl-gamma-butyrolactone
    • J16NAT1G41
    • .gamma.-Hexanolactone
    • DTXSID8041298
    • CHEBI:85235
    • Hexanoic acid, 4-hydroxy-, gamma-lactone
    • AI3-36655
    • NSC-24255
    • NSC-134769
    • (R)-5-Ethyldihydrofuran-2(3H)-one
    • .GAMMA.-CAPROLACTONE-
    • g-Hexalactone
    • CHEMBL192458
    • GAMMA-HEXALACTONE [FCC]
    • DTXCID6021298
    • .GAMMA.-HEXALACTONE [FHFI]
    • 5-17-09-00040 (Beilstein Handbook Reference)
    • (+/-)-.GAMMA.-HEXALACTONE
    • (+/-)-4-ETHYLBUTYROLACTONE
    • 63357-95-9
    • (+/-)-.GAMMA.-ETHYL-.GAMMA.-BUTYROLACTONE
    • Hexanoic acid, .gamma.-lactone
    • UNII-J16NAT1G41
    • 6caprolactone
    • gammaHexalactone
    • -Hexalactone
    • gammacaprolactone
    • Hexan4olide
    • gammaHexanolactone
    • 4-Ethylbutanolide
    • 4Ethyl4butanolide
    • hexa-4-olide
    • Hexanolide1,4
    • 4-Hydroxyhexanoate
    • gamma -Caprolactone
    • 4-hydroxy-Hexanoate
    • gammaEthylbutyrolactone
    • gammaEthylnbutyrolactone
    • starbld0016506
    • .GAMMA.-LACTONE
    • 5Ethyltetrahydro2furanone
    • gamma-Caprolactone, 98%
    • GAMMA-CAPROLACTONE-
    • |A-Hexalactone (Standard)
    • 5Ethyldihydro2(3H)furanone
    • SCHEMBL36360
    • 4Hydroxyhexanoic acid lactone
    • .gamma.-Ethyl-n-butyrolactone
    • 5-Ethyl-dihydro-furan-2-one
    • 2(3H)Furanone, 5ethyldihydro
    • 4-hydroxy-Hexanoic acid lactone
    • GAMMA-CAPROLACTONE [INCI]
    • (+/-)-GAMMA-HEXALACTONE
    • 4Ethyl4hydroxybutanoic acid lactone
    • 5-Ethyldihydro-2(3H)-furanone #
    • HY-W015892R
    • NSC24255
    • Hexanoic acid, 4-hydroxy-, lactone
    • Tox21_300875
    • AC2069
    • BDBM50167994
    • LMFA07040010
    • NSC134769
    • s6265
    • 4-ethylbutanolide (gamma-hexalactone)
    • 4-hydroxy-Hexanoic acid gamma-lactone
    • gamma-Hexalactone, analytical standard
    • Hexanoic acid, 4hydroxy, gammalactone
    • AKOS015908187
    • CS-W016608
    • DS-6470
    • gamma-Hexalactone, natural, 97%, FG
    • HY-W015892
    • SB47678
    • gamma-Hexalactone, >=98%, FCC, FG
    • NCGC00248198-01
    • NCGC00254779-01
    • CAS-695-06-7
    • SY015382
    • 2(3H)-Furanone, 5-ethyldihydro-, (R)-
    • DB-055288
    • DS-016225
    • H0514
    • Hexanoic acid, 4-hydroxy-, .gamma.-lactone
    • NS00012560
    • (+/-)-GAMMA-ETHYL-GAMMA-BUTYROLACTONE
    • EN300-156820
    • gamma-Caprolactone, Vetec(TM) reagent grade, 98%
    • gamma-Ethyl-gamma-butyrolactone, gamma-Caprolactone
    • Q27158424
    • Z1255423463
    • Hexanlactone-gamma

  • Applications

    γ-Hexalactone (CAS 695-06-7) is a lactone flavour compound with a characteristic creamy, coconut-like, ripe-fruit note, widely employed to enhance taste in confectionery, ice cream, yogurt, alcoholic and soft drinks, coffee, cocoa, processed meat, canned seafood, plant-based foods, and pet nutrition; it also serves as a fragrance ingredient in perfumes, soaps, shampoos, detergents, scented candles, skin-care products, and is incorporated into tobacco, diffusers and e-liquids to give sweet-fatty depth; in sensory research γ-Hexalactone is used as a reference standard for chromatographic calibration and panel training, and as an intermediate for synthesising other lactone derivatives in cosmetic, food-additive and pharmaceutical manufacturing thanks to its biocompatibility and strong, stable odour at trace concentrations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 929.21
    methanol 1361.94
    isopropanol 584.25
    water 11.79
    ethyl acetate 344.54
    n-propanol 564.5
    acetone 557.96
    n-butanol 434.59
    acetonitrile 593.59
    DMF 796.67
    toluene 160.51
    isobutanol 383.18
    1,4-dioxane 682.81
    methyl acetate 370.05
    THF 723.04
    2-butanone 364.98
    n-pentanol 329.02
    sec-butanol 398.05
    n-hexane 20.54
    ethylene glycol 284.68
    NMP 560.04
    cyclohexane 22.25
    DMSO 847.66
    n-butyl acetate 231.36
    n-octanol 150.67
    chloroform 1435.14
    n-propyl acetate 171.73
    acetic acid 959.06
    dichloromethane 1164.34
    cyclohexanone 425.28
    propylene glycol 278.22
    isopropyl acetate 203.35
    DMAc 550.1
    2-ethoxyethanol 474.42
    isopentanol 363.79
    n-heptane 12.85
    ethyl formate 268.91
    1,2-dichloroethane 482.62
    n-hexanol 283.38
    2-methoxyethanol 836.16
    isobutyl acetate 120.72
    tetrachloromethane 134.47
    n-pentyl acetate 164.33
    transcutol 1500.61
    n-heptanol 120.45
    ethylbenzene 85.77
    MIBK 185.07
    2-propoxyethanol 518.69
    tert-butanol 539.21
    MTBE 320.56
    2-butoxyethanol 260.42
    propionic acid 492.1
    o-xylene 104.0
    formic acid 501.19
    diethyl ether 275.9
    m-xylene 115.42
    p-xylene 122.94
    chlorobenzene 318.02
    dimethyl carbonate 116.32
    n-octane 7.77
    formamide 482.54
    cyclopentanone 536.93
    2-pentanone 282.09
    anisole 242.49
    cyclopentyl methyl ether 252.5
    gamma-butyrolactone 659.9
    1-methoxy-2-propanol 537.7
    pyridine 549.45
    3-pentanone 173.49
    furfural 670.39
    n-dodecane 10.25
    diethylene glycol 480.08
    diisopropyl ether 75.06
    tert-amyl alcohol 382.58
    acetylacetone 354.94
    n-hexadecane 11.68
    acetophenone 217.71
    methyl propionate 250.28
    isopentyl acetate 213.32
    trichloroethylene 973.99
    n-nonanol 124.38
    cyclohexanol 263.87
    benzyl alcohol 251.87
    2-ethylhexanol 129.81
    isooctanol 99.49
    dipropyl ether 102.27
    1,2-dichlorobenzene 262.9
    ethyl lactate 119.4
    propylene carbonate 329.63
    n-methylformamide 539.14
    2-pentanol 253.12
    n-pentane 21.84
    1-propoxy-2-propanol 291.82
    1-methoxy-2-propyl acetate 232.71
    2-(2-methoxypropoxy) propanol 296.66
    mesitylene 72.38
    ε-caprolactone 399.77
    p-cymene 56.78
    epichlorohydrin 657.73
    1,1,1-trichloroethane 422.32
    2-aminoethanol 483.89
    morpholine-4-carbaldehyde 639.76
    sulfolane 618.51
    2,2,4-trimethylpentane 17.83
    2-methyltetrahydrofuran 475.25
    n-hexyl acetate 261.71
    isooctane 14.35
    2-(2-butoxyethoxy)ethanol 415.61
    sec-butyl acetate 130.67
    tert-butyl acetate 212.87
    decalin 21.37
    glycerin 364.08
    diglyme 621.44
    acrylic acid 482.58
    isopropyl myristate 90.03
    n-butyric acid 521.29
    acetyl acetate 241.2
    di(2-ethylhexyl) phthalate 115.92
    ethyl propionate 144.09
    nitromethane 936.9
    1,2-diethoxyethane 309.22
    benzonitrile 369.52
    trioctyl phosphate 71.09
    1-bromopropane 276.09
    gamma-valerolactone 688.36
    n-decanol 88.99
    triethyl phosphate 76.73
    4-methyl-2-pentanol 149.32
    propionitrile 367.74
    vinylene carbonate 347.15
    1,1,2-trichlorotrifluoroethane 510.49
    DMS 201.81
    cumene 67.14
    2-octanol 90.22
    2-hexanone 197.26
    octyl acetate 119.22
    limonene 77.28
    1,2-dimethoxyethane 531.32
    ethyl orthosilicate 75.17
    tributyl phosphate 92.06
    diacetone alcohol 274.66
    N,N-dimethylaniline 150.52
    acrylonitrile 509.77
    aniline 287.83
    1,3-propanediol 516.21
    bromobenzene 323.2
    dibromomethane 686.21
    1,1,2,2-tetrachloroethane 698.77
    2-methyl-cyclohexyl acetate 121.91
    tetrabutyl urea 113.03
    diisobutyl methanol 76.24
    2-phenylethanol 226.92
    styrene 122.88
    dioctyl adipate 132.02
    dimethyl sulfate 203.53
    ethyl butyrate 137.61
    methyl lactate 169.39
    butyl lactate 146.75
    diethyl carbonate 103.96
    propanediol butyl ether 312.1
    triethyl orthoformate 99.73
    p-tert-butyltoluene 57.18
    methyl 4-tert-butylbenzoate 192.72
    morpholine 709.14
    tert-butylamine 307.73
    n-dodecanol 65.63
    dimethoxymethane 363.43
    ethylene carbonate 254.79
    cyrene 208.39
    2-ethoxyethyl acetate 252.89
    2-ethylhexyl acetate 153.37
    1,2,4-trichlorobenzene 319.63
    4-methylpyridine 532.13
    dibutyl ether 128.92
    2,6-dimethyl-4-heptanol 76.24
    DEF 311.8
    dimethyl isosorbide 347.52
    tetrachloroethylene 438.13
    eugenol 220.16
    triacetin 246.86
    span 80 237.73
    1,4-butanediol 244.76
    1,1-dichloroethane 571.52
    2-methyl-1-pentanol 265.17
    methyl formate 338.45
    2-methyl-1-butanol 319.76
    n-decane 15.89
    butyronitrile 372.21
    3,7-dimethyl-1-octanol 149.62
    1-chlorooctane 76.01
    1-chlorotetradecane 31.69
    n-nonane 14.06
    undecane 12.44
    tert-butylcyclohexane 22.6
    cyclooctane 8.17
    cyclopentanol 330.57
    tetrahydropyran 439.76
    tert-amyl methyl ether 200.15
    2,5,8-trioxanonane 451.92
    1-hexene 103.3
    2-isopropoxyethanol 309.17
    2,2,2-trifluoroethanol 265.98
    methyl butyrate 205.4

    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
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.15%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.01%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 0.02%
Zizyphus jujuba fruit (Malaysia) Zizyphus jujuba Mill. var. inermis, fam. Rhamnaceae 0.23%
Guava fruit headspace (Reunion island) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.4%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.05%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.05%
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 4.11%