Oxacyclohexadec-14-en-2-one

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  • Identifiers

    CAS number
    93893-91-5

    Molecular formula
    C15H26O2

    SMILES
    C1CCCCC/C=C/COC(=O)CCCCC1

    Safety labels

  • Odor profile

    Fragrance
    Musk 87.66%
    Sweet 73.46%
    Fruity 60.87%
    Animal 59.75%
    Powdery 55.6%
    Waxy 54.21%
    Amber 47.84%
    Fatty 37.35%
    Dry 35.31%
    Balsamic 34.34%

     

    Flavor
    Fruity 50.19%
    Animal 34.03%
    Musk 23.88%
    Minty 23.82%
    Natural 23.8%
    Shrimp 21.56%
    Powdery 21.37%
    Alkaline 20.01%
    Beet 19.29%
    Plant 19.04%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.4

    pKa est.
    12.14 (strong base)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    322°C

    Flash point

    • 157.89 ˚C est.

  • Synonyms

    • Oxacyclohexadec-14-en-2-one
    • 93893-91-5
    • EINECS 299-684-3
    • RefChem:168769
    • 299-684-3
    • (14E)-1-oxacyclohexadec-14-en-2-one
    • PSFKNEZPTNSWPX-ZRDIBKRKSA-N
    • DTXSID001310024
    • NS00062784
    • 93893-91-5

  • Applications

    Oxacyclohexadec-14-en-2-one, a macrocyclic lactone containing an oxacycle in a 16-member ring with a carbonyl, is primarily used in perfumery and cosmetics as a fragrance ingredient and an odor fixative. It can be incorporated into personal care formulations to contribute a lasting scent. In household products such as air fresheners and laundry detergents, it serves as an odorant component. In development and fragrance chemistry contexts, it is evaluated as a potential intermediate for synthesizing other fragrance compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 759.39
    methanol 559.39
    isopropanol 788.56
    water 0.02
    ethyl acetate 1624.05
    n-propanol 720.21
    acetone 2068.57
    n-butanol 725.01
    acetonitrile 963.68
    DMF 1937.15
    toluene 1033.02
    isobutanol 608.5
    1,4-dioxane 1669.54
    methyl acetate 975.62
    THF 3007.63
    2-butanone 1453.29
    n-pentanol 503.54
    sec-butanol 703.32
    n-hexane 359.73
    ethylene glycol 62.44
    NMP 1702.89
    cyclohexane 694.23
    DMSO 2280.03
    n-butyl acetate 1234.68
    n-octanol 283.34
    chloroform 4011.31
    n-propyl acetate 1089.03
    acetic acid 796.44
    dichloromethane 3766.61
    cyclohexanone 2545.43
    propylene glycol 171.91
    isopropyl acetate 1122.99
    DMAc 1378.9
    2-ethoxyethanol 628.47
    isopentanol 725.25
    n-heptane 179.13
    ethyl formate 657.26
    1,2-dichloroethane 2542.49
    n-hexanol 544.48
    2-methoxyethanol 932.88
    isobutyl acetate 695.72
    tetrachloromethane 567.97
    n-pentyl acetate 897.63
    transcutol 3510.24
    n-heptanol 267.39
    ethylbenzene 483.41
    MIBK 959.22
    2-propoxyethanol 819.72
    tert-butanol 956.82
    MTBE 1230.5
    2-butoxyethanol 570.62
    propionic acid 676.93
    o-xylene 521.09
    formic acid 129.23
    diethyl ether 1647.51
    m-xylene 598.87
    p-xylene 568.59
    chlorobenzene 1342.4
    dimethyl carbonate 398.18
    n-octane 60.48
    formamide 272.69
    cyclopentanone 2600.58
    2-pentanone 1556.34
    anisole 766.49
    cyclopentyl methyl ether 1642.32
    gamma-butyrolactone 2442.49
    1-methoxy-2-propanol 902.59
    pyridine 2276.53
    3-pentanone 1108.15
    furfural 1801.55
    n-dodecane 37.66
    diethylene glycol 406.12
    diisopropyl ether 528.65
    tert-amyl alcohol 775.22
    acetylacetone 1551.35
    n-hexadecane 45.6
    acetophenone 740.21
    methyl propionate 1004.2
    isopentyl acetate 1011.0
    trichloroethylene 4044.83
    n-nonanol 258.72
    cyclohexanol 1012.92
    benzyl alcohol 532.54
    2-ethylhexanol 406.96
    isooctanol 263.2
    dipropyl ether 841.78
    1,2-dichlorobenzene 1161.41
    ethyl lactate 341.06
    propylene carbonate 1299.13
    n-methylformamide 671.21
    2-pentanol 674.36
    n-pentane 260.41
    1-propoxy-2-propanol 751.15
    1-methoxy-2-propyl acetate 940.71
    2-(2-methoxypropoxy) propanol 558.77
    mesitylene 400.03
    ε-caprolactone 1779.65
    p-cymene 262.21
    epichlorohydrin 2531.79
    1,1,1-trichloroethane 2198.74
    2-aminoethanol 221.24
    morpholine-4-carbaldehyde 1446.52
    sulfolane 2771.81
    2,2,4-trimethylpentane 99.02
    2-methyltetrahydrofuran 2167.39
    n-hexyl acetate 1000.69
    isooctane 90.0
    2-(2-butoxyethoxy)ethanol 878.38
    sec-butyl acetate 761.84
    tert-butyl acetate 1096.74
    decalin 210.76
    glycerin 229.52
    diglyme 1669.0
    acrylic acid 503.59
    isopropyl myristate 348.57
    n-butyric acid 1284.62
    acetyl acetate 903.42
    di(2-ethylhexyl) phthalate 272.94
    ethyl propionate 914.75
    nitromethane 1498.03
    1,2-diethoxyethane 1374.65
    benzonitrile 913.99
    trioctyl phosphate 201.15
    1-bromopropane 1682.59
    gamma-valerolactone 2487.7
    n-decanol 181.73
    triethyl phosphate 341.12
    4-methyl-2-pentanol 377.62
    propionitrile 936.89
    vinylene carbonate 1054.73
    1,1,2-trichlorotrifluoroethane 1481.99
    DMS 687.12
    cumene 294.65
    2-octanol 225.69
    2-hexanone 974.62
    octyl acetate 423.59
    limonene 449.76
    1,2-dimethoxyethane 1340.59
    ethyl orthosilicate 324.93
    tributyl phosphate 287.7
    diacetone alcohol 887.93
    N,N-dimethylaniline 486.33
    acrylonitrile 1053.4
    aniline 971.33
    1,3-propanediol 442.05
    bromobenzene 1656.39
    dibromomethane 2704.91
    1,1,2,2-tetrachloroethane 3497.55
    2-methyl-cyclohexyl acetate 591.71
    tetrabutyl urea 364.37
    diisobutyl methanol 290.66
    2-phenylethanol 464.54
    styrene 682.87
    dioctyl adipate 519.73
    dimethyl sulfate 662.65
    ethyl butyrate 842.72
    methyl lactate 393.41
    butyl lactate 533.23
    diethyl carbonate 538.16
    propanediol butyl ether 520.69
    triethyl orthoformate 564.85
    p-tert-butyltoluene 256.6
    methyl 4-tert-butylbenzoate 611.4
    morpholine 2021.5
    tert-butylamine 697.45
    n-dodecanol 140.32
    dimethoxymethane 1079.58
    ethylene carbonate 978.04
    cyrene 456.18
    2-ethoxyethyl acetate 998.54
    2-ethylhexyl acetate 800.07
    1,2,4-trichlorobenzene 1274.33
    4-methylpyridine 1898.56
    dibutyl ether 793.71
    2,6-dimethyl-4-heptanol 290.66
    DEF 1482.36
    dimethyl isosorbide 968.29
    tetrachloroethylene 2171.61
    eugenol 504.23
    triacetin 872.32
    span 80 581.91
    1,4-butanediol 158.7
    1,1-dichloroethane 2418.1
    2-methyl-1-pentanol 481.16
    methyl formate 470.35
    2-methyl-1-butanol 639.88
    n-decane 74.62
    butyronitrile 1152.53
    3,7-dimethyl-1-octanol 351.18
    1-chlorooctane 344.08
    1-chlorotetradecane 118.7
    n-nonane 76.82
    undecane 50.17
    tert-butylcyclohexane 156.04
    cyclooctane 194.49
    cyclopentanol 956.23
    tetrahydropyran 2508.55
    tert-amyl methyl ether 843.92
    2,5,8-trioxanonane 1007.25
    1-hexene 854.07
    2-isopropoxyethanol 535.1
    2,2,2-trifluoroethanol 237.01
    methyl butyrate 1223.5

    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