Oxacyclohexadecen-2-one, (12E)-

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  • Identifiers

    CAS number
    111879-80-2

    Molecular formula
    C15H26O2

    SMILES
    C1CCCC/C=C/CCCOC(=O)CCCC1

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Musk 88.36%
    Sweet 73.37%
    Fruity 60.64%
    Animal 60.02%
    Powdery 56.54%
    Waxy 55.0%
    Amber 48.55%
    Fatty 38.27%
    Dry 36.24%
    Balsamic 34.63%

    Scent© AI

  • Properties

    XLogP3-AA
    5.2

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    321°C

    Flash point est.
    156.37 ˚C

  • Synonyms

    • Oxacyclohexadec-12-en-2-one, (12E)-
    • 111879-80-2
    • Oxacyclohexadecen-2-one, (12E)-
    • 9SP3WD261B
    • (12E)-1-oxacyclohexadec-12-en-2-one
    • UNII-9SP3WD261B
    • DTXSID5051313
    • OXACYCLOHEXADECENONE, (12E)-
    • 15-PENTADECENOLIDE, (11E)-
    • (12E)-OXACYCLOHEXADEC-12-EN-2-ONE
    • OXACYCLOHEXADEC-13-EN-2-ONE, (12E)-
    • SCHEMBL112283
    • (12E)-oxacyclohexadecen-2-one
    • DTXCID6029915
    • ZYXGECMFJMLZNA-SOFGYWHQSA-N
    • NS00019452
    • Q27273095
    • 423773-57-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1056.25
    methanol 840.39
    isopropanol 1037.83
    water 0.03
    ethyl acetate 1724.15
    n-propanol 947.34
    acetone 2307.58
    n-butanol 956.77
    acetonitrile 1163.04
    DMF 1874.35
    toluene 1094.13
    isobutanol 772.19
    1,4-dioxane 1912.98
    methyl acetate 1028.93
    THF 3014.92
    2-butanone 1565.36
    n-pentanol 661.28
    sec-butanol 884.9
    n-hexane 415.69
    ethylene glycol 82.07
    NMP 1529.72
    cyclohexane 745.54
    DMSO 2482.55
    n-butyl acetate 1304.33
    n-octanol 347.05
    chloroform 4128.79
    n-propyl acetate 1145.41
    acetic acid 965.06
    dichloromethane 3791.09
    cyclohexanone 2520.18
    propylene glycol 205.36
    isopropyl acetate 1173.77
    DMAc 1353.86
    2-ethoxyethanol 750.63
    isopentanol 913.73
    n-heptane 199.45
    ethyl formate 711.82
    1,2-dichloroethane 2499.6
    n-hexanol 688.76
    2-methoxyethanol 1098.63
    isobutyl acetate 742.61
    tetrachloromethane 564.24
    n-pentyl acetate 929.41
    transcutol 4109.52
    n-heptanol 324.51
    ethylbenzene 518.01
    MIBK 1020.67
    2-propoxyethanol 967.58
    tert-butanol 1172.09
    MTBE 1404.21
    2-butoxyethanol 658.38
    propionic acid 755.57
    o-xylene 538.87
    formic acid 155.14
    diethyl ether 2001.18
    m-xylene 627.97
    p-xylene 596.9
    chlorobenzene 1350.82
    dimethyl carbonate 388.57
    n-octane 68.23
    formamide 290.74
    cyclopentanone 2480.62
    2-pentanone 1659.65
    anisole 806.23
    cyclopentyl methyl ether 1666.76
    gamma-butyrolactone 2329.82
    1-methoxy-2-propanol 1033.05
    pyridine 2378.98
    3-pentanone 1138.83
    furfural 1713.74
    n-dodecane 44.0
    diethylene glycol 479.38
    diisopropyl ether 579.45
    tert-amyl alcohol 905.93
    acetylacetone 1522.62
    n-hexadecane 52.84
    acetophenone 755.56
    methyl propionate 1017.53
    isopentyl acetate 1045.58
    trichloroethylene 3937.92
    n-nonanol 308.99
    cyclohexanol 1157.44
    benzyl alcohol 597.01
    2-ethylhexanol 483.48
    isooctanol 306.57
    dipropyl ether 921.9
    1,2-dichlorobenzene 1134.48
    ethyl lactate 356.48
    propylene carbonate 1217.75
    n-methylformamide 697.93
    2-pentanol 839.45
    n-pentane 303.54
    1-propoxy-2-propanol 855.37
    1-methoxy-2-propyl acetate 958.06
    2-(2-methoxypropoxy) propanol 619.4
    mesitylene 414.87
    ε-caprolactone 1795.9
    p-cymene 274.44
    epichlorohydrin 2482.61
    1,1,1-trichloroethane 2113.98
    2-aminoethanol 282.09
    morpholine-4-carbaldehyde 1441.04
    sulfolane 2494.56
    2,2,4-trimethylpentane 110.23
    2-methyltetrahydrofuran 2314.73
    n-hexyl acetate 1095.59
    isooctane 102.93
    2-(2-butoxyethoxy)ethanol 994.35
    sec-butyl acetate 781.89
    tert-butyl acetate 1135.36
    decalin 224.36
    glycerin 272.12
    diglyme 1807.43
    acrylic acid 547.75
    isopropyl myristate 371.63
    n-butyric acid 1465.03
    acetyl acetate 917.68
    di(2-ethylhexyl) phthalate 298.23
    ethyl propionate 932.99
    nitromethane 1572.71
    1,2-diethoxyethane 1551.89
    benzonitrile 970.07
    trioctyl phosphate 219.74
    1-bromopropane 1818.33
    gamma-valerolactone 2383.82
    n-decanol 218.28
    triethyl phosphate 338.81
    4-methyl-2-pentanol 448.94
    propionitrile 1073.29
    vinylene carbonate 1019.41
    1,1,2-trichlorotrifluoroethane 1449.93
    DMS 700.14
    cumene 312.3
    2-octanol 262.19
    2-hexanone 1062.05
    octyl acetate 457.16
    limonene 471.38
    1,2-dimethoxyethane 1485.97
    ethyl orthosilicate 332.41
    tributyl phosphate 306.46
    diacetone alcohol 924.22
    N,N-dimethylaniline 513.25
    acrylonitrile 1146.86
    aniline 1054.71
    1,3-propanediol 544.74
    bromobenzene 1663.98
    dibromomethane 2805.32
    1,1,2,2-tetrachloroethane 3277.03
    2-methyl-cyclohexyl acetate 603.71
    tetrabutyl urea 387.42
    diisobutyl methanol 323.32
    2-phenylethanol 519.37
    styrene 752.02
    dioctyl adipate 545.54
    dimethyl sulfate 610.6
    ethyl butyrate 867.13
    methyl lactate 408.64
    butyl lactate 568.9
    diethyl carbonate 541.69
    propanediol butyl ether 608.72
    triethyl orthoformate 573.89
    p-tert-butyltoluene 266.27
    methyl 4-tert-butylbenzoate 631.26
    morpholine 2247.31
    tert-butylamine 827.28
    n-dodecanol 167.65
    dimethoxymethane 1163.87
    ethylene carbonate 961.08
    cyrene 477.79
    2-ethoxyethyl acetate 1047.79
    2-ethylhexyl acetate 818.59
    1,2,4-trichlorobenzene 1222.27
    4-methylpyridine 2013.01
    dibutyl ether 889.89
    2,6-dimethyl-4-heptanol 323.32
    DEF 1488.86
    dimethyl isosorbide 967.99
    tetrachloroethylene 2131.65
    eugenol 547.18
    triacetin 912.61
    span 80 647.94
    1,4-butanediol 202.04
    1,1-dichloroethane 2476.04
    2-methyl-1-pentanol 600.75
    methyl formate 485.44
    2-methyl-1-butanol 801.66
    n-decane 87.31
    butyronitrile 1350.55
    3,7-dimethyl-1-octanol 405.49
    1-chlorooctane 379.57
    1-chlorotetradecane 130.22
    n-nonane 90.78
    undecane 58.85
    tert-butylcyclohexane 171.93
    cyclooctane 210.58
    cyclopentanol 1066.11
    tetrahydropyran 2880.46
    tert-amyl methyl ether 919.06
    2,5,8-trioxanonane 1095.63
    1-hexene 1018.9
    2-isopropoxyethanol 639.17
    2,2,2-trifluoroethanol 250.59
    methyl butyrate 1253.8

    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