Oxacyclotridecan-2-one

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  • Identifiers

    CAS number
    947-05-7

    Molecular formula
    C12H22O2

    SMILES
    C1CCCCCC(=O)OCCCCC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Musk 88.29%
    Sweet 80.49%
    Animal 64.35%
    Fruity 61.57%
    Waxy 55.69%
    Powdery 54.97%
    Amber 49.06%
    Fatty 43.18%
    Floral 39.99%
    Oily 39.33%

    Scent© AI

  • Properties

    XLogP3-AA
    4.1

    Molecular weight
    198.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    289°C

    Flash point est.
    143.67 ˚C

  • Synonyms

    • Oxacyclotridecan-2-one
    • 947-05-7
    • Dodecanolactone
    • 1-oxacyclotridecan-2-one
    • DTXSID70241569
    • Oxacyclotridecan-2-one, homopolymer
    • 36486-89-2
    • dodecanolid
    • dodecanolide
    • 12-dodecanolide
    • dodecan-12-olide
    • SCHEMBL441434
    • Oxacyclotridecan-2-one, 98%
    • DTXCID50164060
    • AKOS015855291
    • 628-269-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1510.55
    methanol 1413.26
    isopropanol 1403.03
    water 0.1
    ethyl acetate 1420.89
    n-propanol 1388.27
    acetone 1980.31
    n-butanol 1137.56
    acetonitrile 1490.35
    DMF 2270.33
    toluene 1402.88
    isobutanol 1029.74
    1,4-dioxane 1937.97
    methyl acetate 1084.4
    THF 3194.56
    2-butanone 1507.31
    n-pentanol 797.55
    sec-butanol 1175.74
    n-hexane 430.95
    ethylene glycol 159.0
    NMP 1948.56
    cyclohexane 877.66
    DMSO 2832.7
    n-butyl acetate 1438.6
    n-octanol 540.34
    chloroform 5981.45
    n-propyl acetate 1231.69
    acetic acid 1307.64
    dichloromethane 5338.96
    cyclohexanone 3024.98
    propylene glycol 344.89
    isopropyl acetate 932.16
    DMAc 1234.8
    2-ethoxyethanol 731.81
    isopentanol 971.29
    n-heptane 295.38
    ethyl formate 1107.64
    1,2-dichloroethane 2846.07
    n-hexanol 864.81
    2-methoxyethanol 1279.09
    isobutyl acetate 702.49
    tetrachloromethane 847.06
    n-pentyl acetate 1099.49
    transcutol 2854.29
    n-heptanol 470.2
    ethylbenzene 672.06
    MIBK 805.97
    2-propoxyethanol 963.27
    tert-butanol 1275.23
    MTBE 956.19
    2-butoxyethanol 749.56
    propionic acid 1293.83
    o-xylene 669.25
    formic acid 249.35
    diethyl ether 1300.76
    m-xylene 710.81
    p-xylene 817.81
    chlorobenzene 2010.92
    dimethyl carbonate 371.96
    n-octane 107.94
    formamide 511.18
    cyclopentanone 3100.4
    2-pentanone 1385.83
    anisole 969.56
    cyclopentyl methyl ether 1579.28
    gamma-butyrolactone 3309.11
    1-methoxy-2-propanol 1034.83
    pyridine 3362.96
    3-pentanone 963.5
    furfural 2715.76
    n-dodecane 67.2
    diethylene glycol 503.8
    diisopropyl ether 404.43
    tert-amyl alcohol 1009.48
    acetylacetone 1283.84
    n-hexadecane 79.67
    acetophenone 1015.44
    methyl propionate 999.16
    isopentyl acetate 1085.88
    trichloroethylene 5557.35
    n-nonanol 444.54
    cyclohexanol 1603.66
    benzyl alcohol 831.41
    2-ethylhexanol 584.04
    isooctanol 394.84
    dipropyl ether 978.81
    1,2-dichlorobenzene 1632.11
    ethyl lactate 405.85
    propylene carbonate 1877.01
    n-methylformamide 1229.66
    2-pentanol 881.59
    n-pentane 336.92
    1-propoxy-2-propanol 966.33
    1-methoxy-2-propyl acetate 877.42
    2-(2-methoxypropoxy) propanol 589.71
    mesitylene 421.69
    ε-caprolactone 2253.56
    p-cymene 389.46
    epichlorohydrin 2976.89
    1,1,1-trichloroethane 2506.43
    2-aminoethanol 495.85
    morpholine-4-carbaldehyde 1695.45
    sulfolane 3399.72
    2,2,4-trimethylpentane 101.05
    2-methyltetrahydrofuran 2275.56
    n-hexyl acetate 1264.95
    isooctane 87.97
    2-(2-butoxyethoxy)ethanol 920.94
    sec-butyl acetate 724.33
    tert-butyl acetate 815.42
    decalin 248.6
    glycerin 364.08
    diglyme 1690.35
    acrylic acid 1046.51
    isopropyl myristate 447.64
    n-butyric acid 1995.58
    acetyl acetate 817.37
    di(2-ethylhexyl) phthalate 357.3
    ethyl propionate 940.06
    nitromethane 1891.12
    1,2-diethoxyethane 1183.04
    benzonitrile 1704.03
    trioctyl phosphate 286.31
    1-bromopropane 1982.15
    gamma-valerolactone 3036.88
    n-decanol 304.47
    triethyl phosphate 370.56
    4-methyl-2-pentanol 447.97
    propionitrile 1420.2
    vinylene carbonate 1713.04
    1,1,2-trichlorotrifluoroethane 1864.73
    DMS 700.66
    cumene 378.5
    2-octanol 394.28
    2-hexanone 1096.63
    octyl acetate 553.29
    limonene 607.09
    1,2-dimethoxyethane 1532.74
    ethyl orthosilicate 360.13
    tributyl phosphate 378.48
    diacetone alcohol 782.91
    N,N-dimethylaniline 608.42
    acrylonitrile 1727.59
    aniline 1349.33
    1,3-propanediol 753.86
    bromobenzene 2433.66
    dibromomethane 3891.6
    1,1,2,2-tetrachloroethane 4231.25
    2-methyl-cyclohexyl acetate 673.97
    tetrabutyl urea 488.45
    diisobutyl methanol 387.17
    2-phenylethanol 682.75
    styrene 1021.42
    dioctyl adipate 647.15
    dimethyl sulfate 604.8
    ethyl butyrate 995.37
    methyl lactate 452.52
    butyl lactate 700.34
    diethyl carbonate 606.31
    propanediol butyl ether 738.34
    triethyl orthoformate 644.05
    p-tert-butyltoluene 341.98
    methyl 4-tert-butylbenzoate 729.18
    morpholine 2461.89
    tert-butylamine 951.51
    n-dodecanol 223.46
    dimethoxymethane 1018.4
    ethylene carbonate 1516.59
    cyrene 538.58
    2-ethoxyethyl acetate 986.01
    2-ethylhexyl acetate 881.46
    1,2,4-trichlorobenzene 1731.5
    4-methylpyridine 2772.77
    dibutyl ether 981.81
    2,6-dimethyl-4-heptanol 387.17
    DEF 1434.49
    dimethyl isosorbide 1013.67
    tetrachloroethylene 2890.49
    eugenol 644.61
    triacetin 961.48
    span 80 726.01
    1,4-butanediol 303.31
    1,1-dichloroethane 2937.73
    2-methyl-1-pentanol 647.08
    methyl formate 825.85
    2-methyl-1-butanol 862.16
    n-decane 131.88
    butyronitrile 1646.06
    3,7-dimethyl-1-octanol 519.22
    1-chlorooctane 550.96
    1-chlorotetradecane 177.31
    n-nonane 146.16
    undecane 88.22
    tert-butylcyclohexane 180.53
    cyclooctane 232.97
    cyclopentanol 1637.3
    tetrahydropyran 2826.32
    tert-amyl methyl ether 702.23
    2,5,8-trioxanonane 1023.4
    1-hexene 1092.16
    2-isopropoxyethanol 567.93
    2,2,2-trifluoroethanol 347.68
    methyl butyrate 1466.01

    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