delta-Dodecalactone, (+)-

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  • Identifiers

    CAS number
    29587-89-1

    Molecular formula
    C12H22O2

    SMILES
    CCCCCCC[C@@H]1CCCC(=O)O1

  • Odor profile

    Fragrance
    Fatty 88.7%
    Sweet 81.23%
    Creamy 80.72%
    Fruity 75.45%
    Coconut 74.12%
    Peach 72.59%
    Buttery 71.77%
    Milky 69.03%
    Dairy 68.93%
    Waxy 68.11%

     

    Flavor
    Creamy 78.56%
    Coconut 75.98%
    Peach 75.67%
    Sweet 74.58%
    Fatty 72.48%
    Fruity 72.26%
    Waxy 69.84%
    Oily 58.6%
    Dairy 51.82%
    Fresh 51.73%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.9 (neutral)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    299°C

    Flash point

    • 116.06 ˚C est.

  • Synonyms

    • (R)-5-Dodecanolide
    • 2H-Pyran-2-one, 6-heptyltetrahydro-, (6R)-
    • (R)-delta-Dodecalactone
    • delta-Dodecalactone, (R)-
    • delta-Dodecalactone, (+)-
    • 29587-89-1
    • UNII-30UGC07332
    • delta-Dodecalactone R-form [MI]
    • (6R)-6-heptyloxan-2-one
    • 30UGC07332
    • Dodecanoic acid, 5-hydroxy-, delta-lactone, (+)-
    • (R)-.DELTA.-DODECALACTONE
    • .DELTA.-DODECALACTONE, (R)-
    • .DELTA.-DODECALACTONE, (+)-
    • DELTA.-DODECALACTONE R-FORM [MI]
    • DODECANOIC ACID, 5-HYDROXY-, .DELTA.-LACTONE, (+)-
    • (+)-delta-dodecalactone
    • delta-Dodecalactone R-form
    • SCHEMBL1179464
    • DELTA.-DODECALACTONE R-FORM
    • Q27255981

  • Applications

    delta-Dodecalactone, (+)- (CAS 29587-89-1) is used primarily as a fragrance ingredient in perfumery and cosmetics, imparting fruity aroma notes; it may also serve as a flavor/aroma component in foods and beverages where permitted. In polymer design, it can act as a monomer or building block for specialty polyesters (such as poly(dodecalactone)) or related biodegradable materials, contributing to flexible, soft-segment properties. The compound may also be encountered as a fragrance additive in coatings and other consumer products, under appropriate formulation controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4920.37
    methanol 4794.39
    isopropanol 4394.93
    water 0.05
    ethyl acetate 5708.17
    n-propanol 3714.27
    acetone 9257.67
    n-butanol 3363.44
    acetonitrile 5086.29
    DMF 4464.85
    toluene 1759.45
    isobutanol 2652.08
    1,4-dioxane 4556.01
    methyl acetate 3480.71
    THF 6677.42
    2-butanone 5274.9
    n-pentanol 2172.38
    sec-butanol 3163.86
    n-hexane 616.9
    ethylene glycol 239.38
    NMP 2774.53
    cyclohexane 769.2
    DMSO 6462.19
    n-butyl acetate 4129.91
    n-octanol 742.54
    chloroform 8423.83
    n-propyl acetate 3391.48
    acetic acid 2411.44
    dichloromethane 8269.91
    cyclohexanone 6538.71
    propylene glycol 550.4
    isopropyl acetate 3524.19
    DMAc 2436.23
    2-ethoxyethanol 2089.78
    isopentanol 2911.76
    n-heptane 192.96
    ethyl formate 2399.96
    1,2-dichloroethane 5534.67
    n-hexanol 2039.74
    2-methoxyethanol 3584.77
    isobutyl acetate 1855.76
    tetrachloromethane 921.25
    n-pentyl acetate 2017.37
    transcutol 8796.03
    n-heptanol 676.06
    ethylbenzene 808.87
    MIBK 2428.12
    2-propoxyethanol 2745.8
    tert-butanol 3993.98
    MTBE 4570.62
    2-butoxyethanol 1351.31
    propionic acid 2175.52
    o-xylene 831.08
    formic acid 394.35
    diethyl ether 5754.06
    m-xylene 997.31
    p-xylene 1007.98
    chlorobenzene 2486.07
    dimethyl carbonate 699.63
    n-octane 76.5
    formamide 762.48
    cyclopentanone 5376.73
    2-pentanone 5171.64
    anisole 1535.86
    cyclopentyl methyl ether 3480.13
    gamma-butyrolactone 5009.38
    1-methoxy-2-propanol 2920.5
    pyridine 4990.4
    3-pentanone 2652.2
    furfural 3243.01
    n-dodecane 56.17
    diethylene glycol 1277.64
    diisopropyl ether 1289.09
    tert-amyl alcohol 2849.6
    acetylacetone 3939.32
    n-hexadecane 69.88
    acetophenone 1339.2
    methyl propionate 2938.42
    isopentyl acetate 3114.25
    trichloroethylene 8096.49
    n-nonanol 611.58
    cyclohexanol 2836.39
    benzyl alcohol 1186.62
    2-ethylhexanol 1177.39
    isooctanol 594.69
    dipropyl ether 1819.17
    1,2-dichlorobenzene 1901.5
    ethyl lactate 707.36
    propylene carbonate 2461.24
    n-methylformamide 2232.48
    2-pentanol 2381.92
    n-pentane 376.74
    1-propoxy-2-propanol 2229.34
    1-methoxy-2-propyl acetate 2462.46
    2-(2-methoxypropoxy) propanol 1230.08
    mesitylene 622.62
    ε-caprolactone 4486.5
    p-cymene 417.92
    epichlorohydrin 5577.16
    1,1,1-trichloroethane 4635.6
    2-aminoethanol 845.5
    morpholine-4-carbaldehyde 2914.54
    sulfolane 4730.87
    2,2,4-trimethylpentane 153.32
    2-methyltetrahydrofuran 5682.99
    n-hexyl acetate 2372.93
    isooctane 141.6
    2-(2-butoxyethoxy)ethanol 1920.6
    sec-butyl acetate 2104.99
    tert-butyl acetate 2920.94
    decalin 283.64
    glycerin 588.1
    diglyme 3478.22
    acrylic acid 1294.71
    isopropyl myristate 698.55
    n-butyric acid 4373.77
    acetyl acetate 2339.32
    di(2-ethylhexyl) phthalate 544.44
    ethyl propionate 2393.43
    nitromethane 4411.0
    1,2-diethoxyethane 3772.6
    benzonitrile 2144.77
    trioctyl phosphate 391.33
    1-bromopropane 4167.66
    gamma-valerolactone 5636.0
    n-decanol 412.48
    triethyl phosphate 553.34
    4-methyl-2-pentanol 1070.77
    propionitrile 3650.83
    vinylene carbonate 2089.88
    1,1,2-trichlorotrifluoroethane 2691.67
    DMS 1344.74
    cumene 487.5
    2-octanol 558.61
    2-hexanone 3175.04
    octyl acetate 839.7
    limonene 763.64
    1,2-dimethoxyethane 4253.68
    ethyl orthosilicate 551.55
    tributyl phosphate 589.18
    diacetone alcohol 2160.02
    N,N-dimethylaniline 804.95
    acrylonitrile 3524.25
    aniline 2098.62
    1,3-propanediol 1681.71
    bromobenzene 2923.31
    dibromomethane 6035.72
    1,1,2,2-tetrachloroethane 6073.43
    2-methyl-cyclohexyl acetate 1143.39
    tetrabutyl urea 682.41
    diisobutyl methanol 611.37
    2-phenylethanol 1178.81
    styrene 1281.46
    dioctyl adipate 969.22
    dimethyl sulfate 958.16
    ethyl butyrate 2030.85
    methyl lactate 808.27
    butyl lactate 1130.23
    diethyl carbonate 1054.41
    propanediol butyl ether 1163.67
    triethyl orthoformate 1078.68
    p-tert-butyltoluene 396.94
    methyl 4-tert-butylbenzoate 962.06
    morpholine 6352.65
    tert-butylamine 2467.67
    n-dodecanol 297.75
    dimethoxymethane 2872.16
    ethylene carbonate 2068.38
    cyrene 752.19
    2-ethoxyethyl acetate 2282.39
    2-ethylhexyl acetate 2148.84
    1,2,4-trichlorobenzene 2101.08
    4-methylpyridine 4713.65
    dibutyl ether 1906.81
    2,6-dimethyl-4-heptanol 611.37
    DEF 3831.03
    dimethyl isosorbide 1763.31
    tetrachloroethylene 3574.21
    eugenol 888.6
    triacetin 1558.55
    span 80 1135.47
    1,4-butanediol 585.8
    1,1-dichloroethane 6417.44
    2-methyl-1-pentanol 1769.03
    methyl formate 1343.8
    2-methyl-1-butanol 2447.26
    n-decane 113.4
    butyronitrile 4395.17
    3,7-dimethyl-1-octanol 867.01
    1-chlorooctane 660.17
    1-chlorotetradecane 208.52
    n-nonane 115.78
    undecane 75.95
    tert-butylcyclohexane 249.17
    cyclooctane 192.23
    cyclopentanol 2658.18
    tetrahydropyran 7347.26
    tert-amyl methyl ether 2357.23
    2,5,8-trioxanonane 2012.99
    1-hexene 2540.72
    2-isopropoxyethanol 1621.73
    2,2,2-trifluoroethanol 472.79
    methyl butyrate 3672.97

    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