Oxacyclohexadec-13-en-2-one, (13Z)-

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  • Identifiers

    CAS number
    111879-81-3

    Molecular formula
    C15H26O2

    SMILES
    C1CCCCCC(=O)OCC/C=C\CCCC1

  • Odor profile

    Musk 88.47%
    Sweet 72.57%
    Animal 60.04%
    Fruity 59.13%
    Powdery 56.49%
    Waxy 54.55%
    Amber 48.84%
    Fatty 38.58%
    Dry 36.53%
    Clean 34.59%

    Scent© AI

  • Properties

    XLogP3-AA
    5.4

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    320°C

    Flash point est.
    155.9 ˚C

  • Synonyms

    • Oxacyclohexadec-13-en-2-one, (13Z)-
    • 901RRX51A5
    • Oxacyclohexadecen-2-one, (13Z)-
    • UNII-901RRX51A5
    • 111879-81-3
    • DTXSID10888851
    • (e)-12-pentadecen-15-olide
    • SCHEMBL3818356
    • (13Z)-oxacyclohexadecen-2-one
    • AGZBJJSLDGWKSU-NTMALXAHSA-N
    • DTXCID001028122
    • OXACYCLOHEXADECENONE, (13Z)-
    • 15-PENTADECENOLIDE, (12Z)-
    • Q27271264

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 896.6
    methanol 692.47
    isopropanol 895.99
    water 0.02
    ethyl acetate 1688.72
    n-propanol 823.11
    acetone 2209.52
    n-butanol 834.59
    acetonitrile 1062.68
    DMF 1903.54
    toluene 1101.94
    isobutanol 686.28
    1,4-dioxane 1838.26
    methyl acetate 1010.64
    THF 3036.78
    2-butanone 1525.03
    n-pentanol 584.72
    sec-butanol 793.08
    n-hexane 408.35
    ethylene glycol 73.02
    NMP 1669.99
    cyclohexane 748.06
    DMSO 2423.45
    n-butyl acetate 1265.9
    n-octanol 309.97
    chloroform 4103.48
    n-propyl acetate 1109.9
    acetic acid 889.14
    dichloromethane 3778.95
    cyclohexanone 2562.82
    propylene glycol 188.32
    isopropyl acetate 1150.61
    DMAc 1396.22
    2-ethoxyethanol 695.18
    isopentanol 810.68
    n-heptane 193.5
    ethyl formate 670.25
    1,2-dichloroethane 2523.63
    n-hexanol 620.63
    2-methoxyethanol 1019.45
    isobutyl acetate 716.44
    tetrachloromethane 578.23
    n-pentyl acetate 915.5
    transcutol 3938.47
    n-heptanol 292.0
    ethylbenzene 508.52
    MIBK 993.26
    2-propoxyethanol 903.72
    tert-butanol 1063.9
    MTBE 1358.77
    2-butoxyethanol 604.28
    propionic acid 713.27
    o-xylene 548.22
    formic acid 143.99
    diethyl ether 1898.65
    m-xylene 633.8
    p-xylene 588.07
    chlorobenzene 1357.51
    dimethyl carbonate 400.05
    n-octane 64.02
    formamide 283.59
    cyclopentanone 2560.9
    2-pentanone 1602.98
    anisole 798.07
    cyclopentyl methyl ether 1719.24
    gamma-butyrolactone 2414.43
    1-methoxy-2-propanol 967.1
    pyridine 2343.18
    3-pentanone 1153.17
    furfural 1759.67
    n-dodecane 40.23
    diethylene glycol 449.73
    diisopropyl ether 569.07
    tert-amyl alcohol 846.91
    acetylacetone 1539.0
    n-hexadecane 48.71
    acetophenone 751.92
    methyl propionate 1030.72
    isopentyl acetate 1029.22
    trichloroethylene 3996.74
    n-nonanol 281.71
    cyclohexanol 1098.85
    benzyl alcohol 567.28
    2-ethylhexanol 449.24
    isooctanol 280.85
    dipropyl ether 890.36
    1,2-dichlorobenzene 1158.51
    ethyl lactate 346.65
    propylene carbonate 1242.37
    n-methylformamide 678.76
    2-pentanol 753.49
    n-pentane 289.87
    1-propoxy-2-propanol 810.67
    1-methoxy-2-propyl acetate 960.76
    2-(2-methoxypropoxy) propanol 602.8
    mesitylene 420.9
    ε-caprolactone 1803.9
    p-cymene 270.27
    epichlorohydrin 2510.44
    1,1,1-trichloroethane 2152.98
    2-aminoethanol 254.25
    morpholine-4-carbaldehyde 1468.57
    sulfolane 2652.94
    2,2,4-trimethylpentane 109.85
    2-methyltetrahydrofuran 2291.01
    n-hexyl acetate 1054.33
    isooctane 99.16
    2-(2-butoxyethoxy)ethanol 948.55
    sec-butyl acetate 772.61
    tert-butyl acetate 1135.33
    decalin 226.46
    glycerin 253.31
    diglyme 1761.64
    acrylic acid 523.72
    isopropyl myristate 361.63
    n-butyric acid 1352.21
    acetyl acetate 917.66
    di(2-ethylhexyl) phthalate 289.06
    ethyl propionate 927.72
    nitromethane 1556.47
    1,2-diethoxyethane 1499.17
    benzonitrile 937.55
    trioctyl phosphate 211.31
    1-bromopropane 1767.66
    gamma-valerolactone 2454.23
    n-decanol 198.23
    triethyl phosphate 342.7
    4-methyl-2-pentanol 408.43
    propionitrile 1005.05
    vinylene carbonate 1031.63
    1,1,2-trichlorotrifluoroethane 1482.49
    DMS 704.48
    cumene 306.12
    2-octanol 238.37
    2-hexanone 1017.56
    octyl acetate 444.04
    limonene 471.47
    1,2-dimethoxyethane 1423.07
    ethyl orthosilicate 330.72
    tributyl phosphate 301.52
    diacetone alcohol 910.34
    N,N-dimethylaniline 509.48
    acrylonitrile 1081.34
    aniline 1045.09
    1,3-propanediol 492.56
    bromobenzene 1676.32
    dibromomethane 2769.57
    1,1,2,2-tetrachloroethane 3381.57
    2-methyl-cyclohexyl acetate 601.82
    tetrabutyl urea 380.1
    diisobutyl methanol 305.44
    2-phenylethanol 496.04
    styrene 731.63
    dioctyl adipate 538.71
    dimethyl sulfate 648.73
    ethyl butyrate 852.66
    methyl lactate 402.86
    butyl lactate 549.82
    diethyl carbonate 540.67
    propanediol butyl ether 562.66
    triethyl orthoformate 571.56
    p-tert-butyltoluene 265.2
    methyl 4-tert-butylbenzoate 623.02
    morpholine 2169.54
    tert-butylamine 767.36
    n-dodecanol 153.41
    dimethoxymethane 1133.96
    ethylene carbonate 965.8
    cyrene 473.71
    2-ethoxyethyl acetate 1039.07
    2-ethylhexyl acetate 808.38
    1,2,4-trichlorobenzene 1256.19
    4-methylpyridine 1978.66
    dibutyl ether 847.93
    2,6-dimethyl-4-heptanol 305.44
    DEF 1506.36
    dimethyl isosorbide 983.05
    tetrachloroethylene 2166.32
    eugenol 527.68
    triacetin 904.63
    span 80 623.07
    1,4-butanediol 180.0
    1,1-dichloroethane 2433.62
    2-methyl-1-pentanol 552.02
    methyl formate 478.07
    2-methyl-1-butanol 725.59
    n-decane 80.33
    butyronitrile 1237.77
    3,7-dimethyl-1-octanol 380.97
    1-chlorooctane 362.18
    1-chlorotetradecane 124.37
    n-nonane 83.34
    undecane 54.02
    tert-butylcyclohexane 169.02
    cyclooctane 212.17
    cyclopentanol 1023.54
    tetrahydropyran 2757.82
    tert-amyl methyl ether 911.75
    2,5,8-trioxanonane 1067.33
    1-hexene 962.28
    2-isopropoxyethanol 594.94
    2,2,2-trifluoroethanol 247.92
    methyl butyrate 1225.93

    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