delta-UNDECALACTONE

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  • Identifiers

    CAS number
    710-04-3

    Molecular formula
    C11H20O2

    SMILES
    CCCCCCC1CCCC(=O)O1

  • Odor profile

    Fatty 87.68%
    Sweet 85.28%
    Creamy 82.3%
    Fruity 78.97%
    Coconut 78.49%
    Peach 73.2%
    Buttery 72.9%
    Milky 69.84%
    Dairy 68.39%
    Waxy 66.2%

    Scent© AI

  • Properties

    XLogP3-AA
    3.1

    Molecular weight
    184.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 152.00 to 155.00 °C. @ 10.50 mm Hg

    Flash point est.
    106.74 ˚C

    Solubility expt.

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

  • Synonyms

    • 710-04-3
    • delta-Undecalactone
    • 6-Hexyltetrahydro-2H-pyran-2-one
    • 6-hexyloxan-2-one
    • 2H-PYRAN-2-ONE, 6-HEXYLTETRAHYDRO-
    • 5-Undecanolide
    • Undecanoic delta-lactone
    • Delta undecalactone
    • Undecanolide-1,5
    • 5-Hydroxyundecanoic acid lactone
    • delta-Undecanolactone
    • delta-Hexylvalerolactone
    • FEMA No. 3294
    • .delta.-Hexylvalerolactone
    • .delta.-Undecalactone
    • EINECS 211-915-1
    • MFCD00006650
    • 2H-Pyran-2-one, tetrahydro-3-hexyl-
    • 5-Hexyl-5-hydroxypentanoic acid lactone
    • BRN 0122724
    • ERL32M2M38
    • DTXSID9047099
    • AI3-36029
    • Undecanoic acid, 5-hydroxy-, delta-lactone
    • .delta.-Hexyl-.delta.-valerolactone
    • 6-HEXYL-2H-TETRAHYDROPYRAN-2-ONE
    • .DELTA.-UNDECANOLACTONE
    • d-Undecanolactone
    • DTXCID7027099
    • DELTA-UNDECALACTONE [FCC]
    • Undecanoic acid, 5-hydroxy-, .delta.-lactone
    • (RS)-.DELTA.-UNDECALACTONE
    • 5-17-09-00097 (Beilstein Handbook Reference)
    • .DELTA.-UNDECALACTONE [FHFI]
    • (+/-)-.DELTA.-UNDECALACTONE
    • 5-Hydroxyundecanoic Acid delta-Lactone
    • HENDECANOIC ACID, 5-HYDROXY-, LACTONE
    • Undecanoic |A-lactone
    • UNII-ERL32M2M38
    • 5Undecanolide
    • Undecan-5-olide
    • Undecanolide1,5
    • Undeca1,5lactone
    • .delta.-Undecanolide
    • 1,5-Undecanolactone
    • deltaHexylvalerolactone
    • 6Hexyltetrahydro2pyrone
    • Undecanoic delta -lactone
    • 6Hexyltetrahydro2Hpyran2one
    • 2HPyran2one, 6hexyltetrahydro
    • 5Hydroxyundecanoic acid lactone
    • delta-Hexyl-delta-valerolactone
    • CHEMBL372447
    • SCHEMBL1132045
    • Undecanoic delta-lactone, 98%
    • (RS)-DELTA-UNDECALACTONE
    • FEMA 3294
    • YZRXRLLRSPQHDK-UHFFFAOYSA-
    • delta-Undecalactone, >97%, FG
    • CHEBI:171846
    • (+/-)-DELTA-UNDECALACTONE
    • 5Hydroxyundecanoic acid deltalactone
    • 5Hexyl5hydroxypentanoic acid lactone
    • Tox21_302328
    • AKOS024386550
    • 5-Hydroxyundecanoic acid lactone, 8CI
    • CS-W016998
    • SB47812
    • Undecanoic acid, 5hydroxy, deltalactone
    • NCGC00255642-01
    • AS-61729
    • CAS-710-04-3
    • SY051695
    • DB-055478
    • 5-Hydroxy-n-undecanoic acid .delta.-lactone
    • H0344
    • NS00013315
    • D70227
    • Q27277328
    • InChI=1/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3
    • 211-915-1

  • Applications

    δ-Undecalactone (CAS 710-04-3) is a cyclic lactone with a rich peach-creamy-coconut note that formulators employ widely to reinforce or recreate fruity nuances in candies, biscuits, chewing gum, yogurt, ice cream, alcoholic and soft drinks, enhancing fattiness and a smooth sweet aftertaste; in perfumery and personal-care products it softens floral bouquets and tropical accords in shower gels, shampoos, body lotions and lipsticks, lending a natural comfort and depth; in tobacco flavoring it rounds off harsh edges and adds mellow sweetness; it is also found in scented candles, premium detergents, food-contact packaging and flavor chemistry research as a versatile intermediate for expanding the dairy-lactone family, while meeting FEMA and EU safety requirements for food additives, thus suiting low-dosage yet high-impact formulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5249.85
    methanol 5736.85
    isopropanol 4380.68
    water 0.1
    ethyl acetate 5361.21
    n-propanol 3677.23
    acetone 9546.77
    n-butanol 3288.42
    acetonitrile 5184.83
    DMF 5270.54
    toluene 1674.16
    isobutanol 2678.83
    1,4-dioxane 4429.38
    methyl acetate 3258.74
    THF 6281.11
    2-butanone 5026.72
    n-pentanol 2093.6
    sec-butanol 2893.75
    n-hexane 515.8
    ethylene glycol 359.31
    NMP 3036.7
    cyclohexane 585.96
    DMSO 7322.24
    n-butyl acetate 3770.45
    n-octanol 698.57
    chloroform 8320.02
    n-propyl acetate 2913.76
    acetic acid 3009.26
    dichloromethane 7839.79
    cyclohexanone 5989.39
    propylene glycol 679.07
    isopropyl acetate 3178.8
    DMAc 2565.74
    2-ethoxyethanol 2034.06
    isopentanol 2882.5
    n-heptane 142.21
    ethyl formate 2337.71
    1,2-dichloroethane 5319.27
    n-hexanol 1998.18
    2-methoxyethanol 3733.78
    isobutyl acetate 1617.44
    tetrachloromethane 855.7
    n-pentyl acetate 1766.95
    transcutol 9210.26
    n-heptanol 625.75
    ethylbenzene 743.31
    MIBK 2224.79
    2-propoxyethanol 2713.52
    tert-butanol 3976.68
    MTBE 4154.75
    2-butoxyethanol 1291.22
    propionic acid 2411.68
    o-xylene 777.47
    formic acid 585.95
    diethyl ether 5135.09
    m-xylene 967.77
    p-xylene 924.53
    chlorobenzene 2445.11
    dimethyl carbonate 727.39
    n-octane 58.63
    formamide 1061.28
    cyclopentanone 5401.56
    2-pentanone 4873.86
    anisole 1492.96
    cyclopentyl methyl ether 3176.14
    gamma-butyrolactone 5177.43
    1-methoxy-2-propanol 2970.88
    pyridine 4893.48
    3-pentanone 2513.01
    furfural 3425.72
    n-dodecane 45.15
    diethylene glycol 1432.87
    diisopropyl ether 1105.53
    tert-amyl alcohol 2714.34
    acetylacetone 3918.19
    n-hexadecane 55.94
    acetophenone 1287.47
    methyl propionate 2877.61
    isopentyl acetate 2806.79
    trichloroethylene 8228.79
    n-nonanol 568.69
    cyclohexanol 2680.38
    benzyl alcohol 1204.29
    2-ethylhexanol 1075.75
    isooctanol 538.03
    dipropyl ether 1508.79
    1,2-dichlorobenzene 1866.85
    ethyl lactate 657.31
    propylene carbonate 2421.86
    n-methylformamide 2623.62
    2-pentanol 2210.23
    n-pentane 320.6
    1-propoxy-2-propanol 2132.19
    1-methoxy-2-propyl acetate 2305.0
    2-(2-methoxypropoxy) propanol 1240.6
    mesitylene 571.69
    ε-caprolactone 4227.0
    p-cymene 372.86
    epichlorohydrin 5405.68
    1,1,1-trichloroethane 4299.16
    2-aminoethanol 1055.7
    morpholine-4-carbaldehyde 3044.7
    sulfolane 5070.43
    2,2,4-trimethylpentane 135.97
    2-methyltetrahydrofuran 5139.96
    n-hexyl acetate 2167.13
    isooctane 124.69
    2-(2-butoxyethoxy)ethanol 1955.1
    sec-butyl acetate 1810.54
    tert-butyl acetate 2632.44
    decalin 236.05
    glycerin 754.46
    diglyme 3385.64
    acrylic acid 1614.77
    isopropyl myristate 612.33
    n-butyric acid 4363.78
    acetyl acetate 2271.33
    di(2-ethylhexyl) phthalate 527.52
    ethyl propionate 2081.53
    nitromethane 5055.6
    1,2-diethoxyethane 3473.95
    benzonitrile 2183.46
    trioctyl phosphate 368.09
    1-bromopropane 3758.12
    gamma-valerolactone 5418.16
    n-decanol 386.34
    triethyl phosphate 485.56
    4-methyl-2-pentanol 1012.35
    propionitrile 3485.48
    vinylene carbonate 2154.91
    1,1,2-trichlorotrifluoroethane 2868.82
    DMS 1329.63
    cumene 443.69
    2-octanol 505.38
    2-hexanone 2831.28
    octyl acetate 758.19
    limonene 653.62
    1,2-dimethoxyethane 3990.67
    ethyl orthosilicate 494.38
    tributyl phosphate 563.64
    diacetone alcohol 2139.26
    N,N-dimethylaniline 782.06
    acrylonitrile 3635.15
    aniline 2200.48
    1,3-propanediol 1910.6
    bromobenzene 2857.67
    dibromomethane 5647.47
    1,1,2,2-tetrachloroethane 6233.58
    2-methyl-cyclohexyl acetate 1011.02
    tetrabutyl urea 653.56
    diisobutyl methanol 551.51
    2-phenylethanol 1205.24
    styrene 1194.12
    dioctyl adipate 881.08
    dimethyl sulfate 1062.12
    ethyl butyrate 1721.45
    methyl lactate 857.94
    butyl lactate 1094.04
    diethyl carbonate 923.78
    propanediol butyl ether 1243.32
    triethyl orthoformate 926.7
    p-tert-butyltoluene 361.82
    methyl 4-tert-butylbenzoate 921.54
    morpholine 6020.85
    tert-butylamine 2378.98
    n-dodecanol 277.15
    dimethoxymethane 2841.36
    ethylene carbonate 1999.28
    cyrene 760.37
    2-ethoxyethyl acetate 2152.23
    2-ethylhexyl acetate 1915.41
    1,2,4-trichlorobenzene 2073.44
    4-methylpyridine 4714.69
    dibutyl ether 1608.24
    2,6-dimethyl-4-heptanol 551.51
    DEF 3770.5
    dimethyl isosorbide 1699.8
    tetrachloroethylene 3637.28
    eugenol 894.06
    triacetin 1463.71
    span 80 1112.74
    1,4-butanediol 657.79
    1,1-dichloroethane 6059.24
    2-methyl-1-pentanol 1736.94
    methyl formate 1590.88
    2-methyl-1-butanol 2386.75
    n-decane 89.19
    butyronitrile 4206.6
    3,7-dimethyl-1-octanol 824.59
    1-chlorooctane 569.02
    1-chlorotetradecane 179.3
    n-nonane 89.88
    undecane 60.34
    tert-butylcyclohexane 216.45
    cyclooctane 146.69
    cyclopentanol 2590.73
    tetrahydropyran 6449.46
    tert-amyl methyl ether 2155.03
    2,5,8-trioxanonane 1991.46
    1-hexene 2122.95
    2-isopropoxyethanol 1567.01
    2,2,2-trifluoroethanol 599.13
    methyl butyrate 3221.38

    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