Delta-Nonalactone

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  • Identifiers

    CAS number
    3301-94-8

    Molecular formula
    C9H16O2

    SMILES
    CCCCC1CCCC(=O)O1

    Retention indicies (RI)

    • Carbowax: 2069.5

  • Odor profile

    Sweet 84.37%
    Coconut 83.04%
    Fatty 81.55%
    Creamy 81.14%
    Lactonic 69.67%
    Buttery 66.75%
    Coumarinic 64.23%
    Milky 64.15%
    Dairy 61.96%
    Oily 59.87%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point est.
    87.64 ˚C

    Solubility expt.

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

  • Synonyms

    • DELTA-NONALACTONE
    • 3301-94-8
    • 2H-Pyran-2-one, 6-butyltetrahydro-
    • 6-Butyltetrahydro-2H-pyran-2-one
    • 6-butyloxan-2-one
    • 5-Nonanolide
    • delta-Nonanolactone
    • 5-Nonalactone
    • 5-Hydroxynonanoic acid, lactone
    • Hydroxynonanoic acid delta-lactone
    • .delta.-Nonalactone
    • 5-Butyl-delta-valerolactone
    • delta-Butyl-delta-valerolactone
    • FEMA No. 3356
    • UNII-DMB99B4WCF
    • DMB99B4WCF
    • delta-Hydroxypelargonic acid lactone
    • 5-Hydroxynonanoic acid delta-lactone
    • Nonan-1,5-olide
    • 5-Butyl-5-hydroxypentanoic acid lactone
    • Nonanoic acid, 5-hydroxy-, delta-lactone
    • EINECS 221-974-5
    • .delta.-Butylvalerolactone
    • .DELTA.-NONANOLACTONE
    • AI3-36027
    • DELTA-NONALACTONE [FCC]
    • FEMA 3356
    • DTXSID70863149
    • (+/-)-DELTA-NONALACTONE
    • (RS)-.DELTA.-NONALACTONE
    • 2H-Pyran-2-one, tetrahydro-6-butyl
    • 6-Butyltetrahydro-2H-pyran-2-one, 9CI
    • .DELTA.-BUTYL-.DELTA.-VALEROLACTONE
    • NONANOIC ACID, 5-HYDROXY-, LACTONE
    • 5-HYDROXYNONANOIC ACID .DELTA.-LACTONE
    • HYDROXYNONANOIC ACID .DELTA.-LACTONE [FHFI]
    • NONANOIC ACID, 5-HYDROXY-, .DELTA.-LACTONE
    • beta-Nonalactone
    • beta -nonalactone
    • .delta. Nonalactone
    • MFCD00036500
    • Nona-1,5-lactone
    • delta-Pelargonolactone
    • 5-Butyl-I'-valerolactone
    • Laquo deltaraquo-nonanolide
    • laquo deltaRaquo -nonanolide
    • SCHEMBL918003
    • 5-Hydroxynonanoic acid lactone
    • (RS)-DELTA-NONALACTONE
    • DTXCID40811814
    • CHEBI:171747
    • delta-Nonalactone, 98%, FCC, FG
    • 6-Butyltetrahydro-2H-pyran-2-one #
    • AKOS015914962
    • CS-W018000
    • delta-Nonalactone, natural, 98%, FG
    • HY-W017284
    • SB46699
    • SB46732
    • AS-62019
    • DA-59375
    • SY050146
    • N0424
    • NS00013033
    • D91705
    • delta-Nonalactone;5-n-Butyl-delta-valerolactone
    • Q25323843

  • Applications

    δ-Nonalactone (CAS 3301-94-8) is a cyclic lactone flavour ingredient celebrated for its creamy peach, coconut and buttery milk nuances; in food manufacture it enriches peach, apricot, coconut, mango, dairy, ice cream, confectionery, yoghurt, alcoholic and soft drinks by boosting fruit sweetness and imparting a natural “fatty” mouthfeel, while it is also blended into tobacco, feed additives and incense to lend a soft, creamy accord; in cosmetics and fine fragrance δ-Nonalactone builds gourmand, tropical and fruity-floral bases, rounds woody, musky and amber notes and provides a warm, edible sensuality; thanks to its very low odour threshold (≈0.01 ppm) the molecule is employed in olfactory research and in masking off-notes or repairing flavour defects; classified as a FEMA/GRAS and EU-approved flavouring, it blends readily with vanillin, ionones, coumarin and fatty acids to add depth and complexity to flavour or fragrance compositions.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2993.76
    methanol 3805.89
    isopropanol 2253.67
    water 0.48
    ethyl acetate 1835.77
    n-propanol 2019.99
    acetone 3629.03
    n-butanol 1741.32
    acetonitrile 2399.7
    DMF 2834.34
    toluene 834.24
    isobutanol 1443.42
    1,4-dioxane 2141.52
    methyl acetate 1411.62
    THF 2889.06
    2-butanone 2010.48
    n-pentanol 1181.55
    sec-butanol 1542.11
    n-hexane 217.03
    ethylene glycol 343.2
    NMP 1903.68
    cyclohexane 278.71
    DMSO 3893.09
    n-butyl acetate 1627.36
    n-octanol 490.9
    chloroform 5229.86
    n-propyl acetate 1068.89
    acetic acid 2245.68
    dichloromethane 4242.34
    cyclohexanone 2715.38
    propylene glycol 552.55
    isopropyl acetate 1066.55
    DMAc 1373.91
    2-ethoxyethanol 1008.89
    isopentanol 1458.75
    n-heptane 77.66
    ethyl formate 1218.05
    1,2-dichloroethane 2402.71
    n-hexanol 1214.56
    2-methoxyethanol 1834.0
    isobutyl acetate 642.11
    tetrachloromethane 545.81
    n-pentyl acetate 800.44
    transcutol 4371.39
    n-heptanol 407.31
    ethylbenzene 420.37
    MIBK 865.16
    2-propoxyethanol 1421.39
    tert-butanol 1985.55
    MTBE 1423.25
    2-butoxyethanol 725.36
    propionic acid 1607.07
    o-xylene 432.56
    formic acid 543.29
    diethyl ether 1573.21
    m-xylene 505.48
    p-xylene 535.95
    chlorobenzene 1495.2
    dimethyl carbonate 370.18
    n-octane 34.71
    formamide 754.7
    cyclopentanone 2686.09
    2-pentanone 1703.48
    anisole 805.92
    cyclopentyl methyl ether 1289.49
    gamma-butyrolactone 2894.53
    1-methoxy-2-propanol 1382.62
    pyridine 2663.63
    3-pentanone 965.42
    furfural 2187.34
    n-dodecane 30.58
    diethylene glycol 886.9
    diisopropyl ether 383.16
    tert-amyl alcohol 1375.21
    acetylacetone 1535.61
    n-hexadecane 36.98
    acetophenone 738.43
    methyl propionate 1122.91
    isopentyl acetate 1231.64
    trichloroethylene 4452.18
    n-nonanol 384.8
    cyclohexanol 1426.05
    benzyl alcohol 762.18
    2-ethylhexanol 600.11
    isooctanol 333.78
    dipropyl ether 622.06
    1,2-dichlorobenzene 1134.19
    ethyl lactate 356.27
    propylene carbonate 1457.17
    n-methylformamide 1574.24
    2-pentanol 1073.38
    n-pentane 161.06
    1-propoxy-2-propanol 1069.61
    1-methoxy-2-propyl acetate 951.4
    2-(2-methoxypropoxy) propanol 724.01
    mesitylene 296.85
    ε-caprolactone 2082.03
    p-cymene 236.1
    epichlorohydrin 2582.27
    1,1,1-trichloroethane 2196.19
    2-aminoethanol 821.15
    morpholine-4-carbaldehyde 1694.48
    sulfolane 2884.0
    2,2,4-trimethylpentane 74.12
    2-methyltetrahydrofuran 2263.33
    n-hexyl acetate 1103.74
    isooctane 65.14
    2-(2-butoxyethoxy)ethanol 1104.62
    sec-butyl acetate 668.98
    tert-butyl acetate 934.12
    decalin 120.84
    glycerin 609.42
    diglyme 1787.16
    acrylic acid 1280.13
    isopropyl myristate 336.37
    n-butyric acid 2384.37
    acetyl acetate 972.12
    di(2-ethylhexyl) phthalate 338.1
    ethyl propionate 781.16
    nitromethane 2782.98
    1,2-diethoxyethane 1311.25
    benzonitrile 1473.09
    trioctyl phosphate 237.44
    1-bromopropane 1672.54
    gamma-valerolactone 2723.32
    n-decanol 260.28
    triethyl phosphate 257.5
    4-methyl-2-pentanol 528.71
    propionitrile 1712.77
    vinylene carbonate 1388.1
    1,1,2-trichlorotrifluoroethane 1670.06
    DMS 673.34
    cumene 262.67
    2-octanol 313.13
    2-hexanone 1171.16
    octyl acetate 442.51
    limonene 369.61
    1,2-dimethoxyethane 1840.78
    ethyl orthosilicate 256.79
    tributyl phosphate 333.82
    diacetone alcohol 948.01
    N,N-dimethylaniline 465.89
    acrylonitrile 2020.18
    aniline 1207.69
    1,3-propanediol 1159.33
    bromobenzene 1642.84
    dibromomethane 2978.29
    1,1,2,2-tetrachloroethane 3408.81
    2-methyl-cyclohexyl acetate 519.43
    tetrabutyl urea 388.76
    diisobutyl methanol 311.16
    2-phenylethanol 776.4
    styrene 651.68
    dioctyl adipate 491.17
    dimethyl sulfate 562.79
    ethyl butyrate 756.3
    methyl lactate 471.53
    butyl lactate 581.68
    diethyl carbonate 448.21
    propanediol butyl ether 828.32
    triethyl orthoformate 436.15
    p-tert-butyltoluene 216.97
    methyl 4-tert-butylbenzoate 562.41
    morpholine 2650.41
    tert-butylamine 1219.46
    n-dodecanol 187.51
    dimethoxymethane 1153.61
    ethylene carbonate 1143.25
    cyrene 489.66
    2-ethoxyethyl acetate 953.24
    2-ethylhexyl acetate 847.23
    1,2,4-trichlorobenzene 1280.22
    4-methylpyridine 2453.13
    dibutyl ether 710.68
    2,6-dimethyl-4-heptanol 311.16
    DEF 1499.32
    dimethyl isosorbide 957.49
    tetrachloroethylene 2130.95
    eugenol 595.48
    triacetin 807.85
    span 80 690.24
    1,4-butanediol 454.96
    1,1-dichloroethane 2902.38
    2-methyl-1-pentanol 953.24
    methyl formate 997.61
    2-methyl-1-butanol 1217.8
    n-decane 57.41
    butyronitrile 1976.55
    3,7-dimethyl-1-octanol 518.76
    1-chlorooctane 338.13
    1-chlorotetradecane 107.32
    n-nonane 57.89
    undecane 40.24
    tert-butylcyclohexane 109.62
    cyclooctane 72.63
    cyclopentanol 1545.27
    tetrahydropyran 2641.08
    tert-amyl methyl ether 819.0
    2,5,8-trioxanonane 1094.55
    1-hexene 924.8
    2-isopropoxyethanol 755.22
    2,2,2-trifluoroethanol 447.95
    methyl butyrate 1276.73

    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
Jasmine polyanthum flower headspace Jasminum polyanthum L., fam. Oleaceae 0.01%
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 0.03%