epsilon-Dodecalactone

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  • Identifiers

    CAS number
    16429-21-3

    Molecular formula
    C12H22O2

    SMILES
    CCCCCCC1CCCCC(=O)O1

  • Odor profile

    Fragrance
    Fatty 86.35%
    Sweet 85.95%
    Creamy 80.81%
    Fruity 80.52%
    Coconut 77.33%
    Peach 71.97%
    Buttery 70.49%
    Milky 67.95%
    Dairy 65.69%
    Waxy 65.65%

     

    Flavor
    Coconut 77.11%
    Creamy 76.78%
    Peach 75.1%
    Sweet 74.33%
    Fruity 71.4%
    Fatty 68.1%
    Waxy 65.04%
    Oily 55.09%
    Dairy 52.52%
    Fresh 52.11%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    8.03 (weak base)

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    294°C

    Flash point

    • 121.88 ˚C est.

    Solubility expt.

    • slightly soluble in water; miscible with fats

  • Synonyms

    • 7-Hexyloxepan-2-one
    • epsilon-Dodecalactone
    • 16429-21-3
    • 2-Oxepanone, 7-hexyl-
    • 7-Hexyl-2-oxepanone
    • 6-Hexylhexanolide
    • FEMA No. 3610
    • epsilon-Hydroxydodecanoic acid lactone
    • 6-Hydroxydodecanoic acid epsilon-lactone
    • .epsilon.-Dodecalactone
    • EINECS 240-483-7
    • UNII-Y9M87BIY21
    • Dodecanoic acid, 6-hydroxy-, epsilon-lactone
    • BRN 4389436
    • Y9M87BIY21
    • 6-Hexylhexan-6-olide
    • DTXSID10864675
    • (+/-)-EPSILON-DODECALACTONE
    • .EPSILON.-DODECALACTONE [FHFI]
    • EPSILON-DODECALACTONE, (+/-)-
    • EPSILON-HEXYL-EPSILON-CAPROLACTONE
    • e-dodecalactone
    • 7-hexyl 2-oxepanone
    • Epsilon-dodecanolactone
    • Dodecanoic acid, 6-hydroxy-, epsilon-lactone (6CI,7CI)
    • SCHEMBL309599
    • FEMA 3610
    • DTXCID70813164
    • CHEBI:171843
    • 7-Hexyl-2-oxepanone, 9CI, 8CI
    • AKOS006276838
    • NS00052801
    • Q27294408

  • Applications

    epsilon-Dodecalactone, CAS 16429-21-3, is used primarily as a fragrance ingredient with a fruity note and can function as a fixative in perfumery; it is employed in cosmetics and personal care formulations to contribute scent in products such as creams, lotions, and shampoos; it is also used in household products and air fresheners as a fragrance additive; in polymer chemistry, it can serve as a monomer for ring-opening polymerization to produce aliphatic polyesters with flexible soft segments; and it may be used as an intermediate in the synthesis of fragrance esters and other specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13303.05
    methanol 14542.44
    isopropanol 10434.33
    water 0.27
    ethyl acetate 12903.69
    n-propanol 9703.62
    acetone 23325.16
    n-butanol 7814.0
    acetonitrile 14252.33
    DMF 13528.19
    toluene 4498.0
    isobutanol 7206.97
    1,4-dioxane 11171.79
    methyl acetate 7913.77
    THF 14627.35
    2-butanone 12316.08
    n-pentanol 4702.86
    sec-butanol 7669.7
    n-hexane 1545.13
    ethylene glycol 860.63
    NMP 8430.99
    cyclohexane 2437.51
    DMSO 16337.39
    n-butyl acetate 7425.35
    n-octanol 1482.93
    chloroform 21236.98
    n-propyl acetate 6880.03
    acetic acid 7240.41
    dichloromethane 20150.76
    cyclohexanone 16393.02
    propylene glycol 1507.83
    isopropyl acetate 6925.67
    DMAc 6535.75
    2-ethoxyethanol 4550.37
    isopentanol 6300.31
    n-heptane 436.83
    ethyl formate 5857.68
    1,2-dichloroethane 14377.43
    n-hexanol 3968.8
    2-methoxyethanol 7915.9
    isobutyl acetate 3482.13
    tetrachloromethane 2682.9
    n-pentyl acetate 4082.09
    transcutol 13167.09
    n-heptanol 1373.05
    ethylbenzene 1751.61
    MIBK 4657.74
    2-propoxyethanol 4919.27
    tert-butanol 8273.96
    MTBE 9642.98
    2-butoxyethanol 2516.59
    propionic acid 6276.62
    o-xylene 1760.72
    formic acid 1587.37
    diethyl ether 13526.56
    m-xylene 2005.88
    p-xylene 2436.32
    chlorobenzene 6702.93
    dimethyl carbonate 1827.44
    n-octane 177.36
    formamide 2915.68
    cyclopentanone 13716.03
    2-pentanone 10816.28
    anisole 3455.88
    cyclopentyl methyl ether 7500.39
    gamma-butyrolactone 12767.99
    1-methoxy-2-propanol 5554.56
    pyridine 15288.81
    3-pentanone 6455.77
    furfural 8126.83
    n-dodecane 118.21
    diethylene glycol 2517.18
    diisopropyl ether 2566.03
    tert-amyl alcohol 6058.26
    acetylacetone 8315.75
    n-hexadecane 146.78
    acetophenone 2955.85
    methyl propionate 6710.0
    isopentyl acetate 5263.16
    trichloroethylene 19717.38
    n-nonanol 1176.98
    cyclohexanol 6950.8
    benzyl alcohol 2752.78
    2-ethylhexanol 2081.07
    isooctanol 1135.28
    dipropyl ether 3323.27
    1,2-dichlorobenzene 4664.33
    ethyl lactate 1372.75
    propylene carbonate 5850.05
    n-methylformamide 7164.35
    2-pentanol 5081.5
    n-pentane 1024.09
    1-propoxy-2-propanol 3645.1
    1-methoxy-2-propyl acetate 4032.85
    2-(2-methoxypropoxy) propanol 1859.99
    mesitylene 1216.74
    ε-caprolactone 11182.26
    p-cymene 771.52
    epichlorohydrin 12763.19
    1,1,1-trichloroethane 11026.65
    2-aminoethanol 2545.57
    morpholine-4-carbaldehyde 7060.4
    sulfolane 11726.1
    2,2,4-trimethylpentane 334.59
    2-methyltetrahydrofuran 12905.27
    n-hexyl acetate 4515.11
    isooctane 281.53
    2-(2-butoxyethoxy)ethanol 3077.63
    sec-butyl acetate 3894.4
    tert-butyl acetate 5397.95
    decalin 653.97
    glycerin 1549.35
    diglyme 5736.05
    acrylic acid 4114.75
    isopropyl myristate 1189.5
    n-butyric acid 10596.0
    acetyl acetate 4980.83
    di(2-ethylhexyl) phthalate 950.98
    ethyl propionate 4918.15
    nitromethane 13232.1
    1,2-diethoxyethane 6198.29
    benzonitrile 5607.32
    trioctyl phosphate 693.43
    1-bromopropane 10473.85
    gamma-valerolactone 12836.49
    n-decanol 760.62
    triethyl phosphate 968.35
    4-methyl-2-pentanol 2036.93
    propionitrile 9439.1
    vinylene carbonate 5319.98
    1,1,2-trichlorotrifluoroethane 6695.15
    DMS 2726.4
    cumene 952.76
    2-octanol 1135.0
    2-hexanone 6276.8
    octyl acetate 1526.48
    limonene 1459.71
    1,2-dimethoxyethane 9167.64
    ethyl orthosilicate 981.83
    tributyl phosphate 1027.84
    diacetone alcohol 4008.23
    N,N-dimethylaniline 1729.19
    acrylonitrile 9648.84
    aniline 5513.43
    1,3-propanediol 4224.95
    bromobenzene 7614.59
    dibromomethane 15287.39
    1,1,2,2-tetrachloroethane 15619.74
    2-methyl-cyclohexyl acetate 1940.04
    tetrabutyl urea 1275.96
    diisobutyl methanol 1022.92
    2-phenylethanol 2458.91
    styrene 3168.09
    dioctyl adipate 1651.34
    dimethyl sulfate 2606.6
    ethyl butyrate 3584.62
    methyl lactate 1709.03
    butyl lactate 2180.54
    diethyl carbonate 1924.04
    propanediol butyl ether 2250.26
    triethyl orthoformate 1929.96
    p-tert-butyltoluene 719.86
    methyl 4-tert-butylbenzoate 1799.22
    morpholine 15555.4
    tert-butylamine 5314.35
    n-dodecanol 539.31
    dimethoxymethane 6030.18
    ethylene carbonate 5358.56
    cyrene 1473.55
    2-ethoxyethyl acetate 4202.85
    2-ethylhexyl acetate 3754.21
    1,2,4-trichlorobenzene 4889.98
    4-methylpyridine 13502.24
    dibutyl ether 3304.68
    2,6-dimethyl-4-heptanol 1022.92
    DEF 9291.49
    dimethyl isosorbide 2861.65
    tetrachloroethylene 9779.47
    eugenol 1676.48
    triacetin 2773.95
    span 80 1948.28
    1,4-butanediol 1527.03
    1,1-dichloroethane 15522.87
    2-methyl-1-pentanol 3626.09
    methyl formate 4187.8
    2-methyl-1-butanol 5566.39
    n-decane 235.38
    butyronitrile 10775.64
    3,7-dimethyl-1-octanol 1454.91
    1-chlorooctane 1292.16
    1-chlorotetradecane 394.66
    n-nonane 248.33
    undecane 157.87
    tert-butylcyclohexane 508.41
    cyclooctane 480.7
    cyclopentanol 6769.64
    tetrahydropyran 18523.49
    tert-amyl methyl ether 4738.05
    2,5,8-trioxanonane 3203.96
    1-hexene 5725.56
    2-isopropoxyethanol 3202.95
    2,2,2-trifluoroethanol 1497.12
    methyl butyrate 7872.01

    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