Oxacycloheptadec-11-en-2-one

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  • Identifiers

    CAS number
    36508-31-3

    Molecular formula
    C16H28O2

    SMILES
    C1CCCCC(=O)OCCCCCC=CCCC1

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Musk 89.12%
    Sweet 72.92%
    Animal 60.41%
    Fruity 58.09%
    Powdery 57.08%
    Waxy 54.97%
    Amber 49.47%
    Fatty 38.13%
    Dry 37.31%
    Clean 34.65%

     

    Flavor
    Fruity 46.04%
    Animal 34.58%
    Natural 23.58%
    Musk 23.24%
    Powdery 21.62%
    Shrimp 21.54%
    Minty 21.52%
    Alkaline 20.16%
    Beet 19.46%
    Plant 19.02%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    12.05 (strong base)

    Molecular weight
    252.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    331°C

    Flash point

    • 160.98 ˚C est.

  • Synonyms

    • Oxacycloheptadec-11-en-2-one
    • 36508-31-3
    • DTXSID2074908
    • RefChem:168767
    • DTXCID1039187
    • 1-OXACYCLOHEPTADEC-11-EN-2-ONE
    • SCHEMBL7553036
    • 36508-31-3

  • Applications

    Oxacycloheptadec-11-en-2-one (CAS 36508-31-3) is a macrocyclic lactone whose odor-active properties underpin several fragrance-oriented applications. In perfumery, it is considered as a fragrance ingredient and may act as a fixative or create a long-lasting note due to its large ring structure. In cosmetics and personal care, it may be used as a scent component in formulations such as creams and lotions, subject to regulatory limits. In household products, it can be employed in air fresheners and cleaners to impart or enhance fragrance. In industrial manufacturing, it may serve as an intermediate for the synthesis of specialty fragrance compounds or as a building block for polymers or materials with macrocyclic motifs, and can be explored as a macrocyclic building block for materials. Its use is formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 655.55
    methanol 477.09
    isopropanol 700.27
    water 0.02
    ethyl acetate 1323.85
    n-propanol 634.46
    acetone 1536.78
    n-butanol 694.36
    acetonitrile 731.43
    DMF 1265.82
    toluene 933.52
    isobutanol 543.31
    1,4-dioxane 1468.75
    methyl acetate 793.1
    THF 2497.64
    2-butanone 1159.65
    n-pentanol 501.31
    sec-butanol 637.23
    n-hexane 349.13
    ethylene glycol 46.1
    NMP 1219.79
    cyclohexane 702.45
    DMSO 1691.18
    n-butyl acetate 1089.32
    n-octanol 293.0
    chloroform 3498.89
    n-propyl acetate 977.99
    acetic acid 623.43
    dichloromethane 3247.58
    cyclohexanone 2086.79
    propylene glycol 127.36
    isopropyl acetate 957.31
    DMAc 1033.97
    2-ethoxyethanol 556.63
    isopentanol 676.27
    n-heptane 195.38
    ethyl formate 542.3
    1,2-dichloroethane 2092.12
    n-hexanol 537.26
    2-methoxyethanol 742.85
    isobutyl acetate 643.47
    tetrachloromethane 485.34
    n-pentyl acetate 839.06
    transcutol 3138.47
    n-heptanol 277.12
    ethylbenzene 466.52
    MIBK 830.18
    2-propoxyethanol 726.05
    tert-butanol 825.16
    MTBE 1016.52
    2-butoxyethanol 548.79
    propionic acid 537.33
    o-xylene 480.86
    formic acid 91.34
    diethyl ether 1440.87
    m-xylene 541.86
    p-xylene 547.14
    chlorobenzene 1185.25
    dimethyl carbonate 291.1
    n-octane 67.31
    formamide 176.89
    cyclopentanone 2029.85
    2-pentanone 1288.6
    anisole 697.73
    cyclopentyl methyl ether 1394.61
    gamma-butyrolactone 1916.76
    1-methoxy-2-propanol 751.95
    pyridine 1903.53
    3-pentanone 895.78
    furfural 1415.22
    n-dodecane 42.15
    diethylene glycol 332.18
    diisopropyl ether 473.26
    tert-amyl alcohol 674.6
    acetylacetone 1193.62
    n-hexadecane 50.77
    acetophenone 680.1
    methyl propionate 782.61
    isopentyl acetate 891.54
    trichloroethylene 3325.8
    n-nonanol 267.37
    cyclohexanol 947.97
    benzyl alcohol 498.71
    2-ethylhexanol 405.38
    isooctanol 266.85
    dipropyl ether 819.12
    1,2-dichlorobenzene 1015.31
    ethyl lactate 302.75
    propylene carbonate 1033.86
    n-methylformamide 450.14
    2-pentanol 633.28
    n-pentane 252.13
    1-propoxy-2-propanol 692.85
    1-methoxy-2-propyl acetate 795.98
    2-(2-methoxypropoxy) propanol 510.49
    mesitylene 364.0
    ε-caprolactone 1542.04
    p-cymene 256.48
    epichlorohydrin 2050.86
    1,1,1-trichloroethane 1809.49
    2-aminoethanol 169.35
    morpholine-4-carbaldehyde 1128.9
    sulfolane 2114.73
    2,2,4-trimethylpentane 94.84
    2-methyltetrahydrofuran 1913.45
    n-hexyl acetate 950.35
    isooctane 86.02
    2-(2-butoxyethoxy)ethanol 805.26
    sec-butyl acetate 678.48
    tert-butyl acetate 923.32
    decalin 208.51
    glycerin 171.95
    diglyme 1479.23
    acrylic acid 382.19
    isopropyl myristate 338.56
    n-butyric acid 1128.57
    acetyl acetate 722.83
    di(2-ethylhexyl) phthalate 263.1
    ethyl propionate 796.14
    nitromethane 1058.16
    1,2-diethoxyethane 1266.9
    benzonitrile 813.1
    trioctyl phosphate 196.55
    1-bromopropane 1513.64
    gamma-valerolactone 1961.25
    n-decanol 187.72
    triethyl phosphate 311.57
    4-methyl-2-pentanol 354.82
    propionitrile 778.45
    vinylene carbonate 862.17
    1,1,2-trichlorotrifluoroethane 1169.04
    DMS 586.86
    cumene 284.36
    2-octanol 229.45
    2-hexanone 881.78
    octyl acetate 410.93
    limonene 438.43
    1,2-dimethoxyethane 1166.91
    ethyl orthosilicate 301.07
    tributyl phosphate 270.68
    diacetone alcohol 731.97
    N,N-dimethylaniline 451.68
    acrylonitrile 820.18
    aniline 820.62
    1,3-propanediol 349.69
    bromobenzene 1478.73
    dibromomethane 2404.35
    1,1,2,2-tetrachloroethane 2850.75
    2-methyl-cyclohexyl acetate 548.21
    tetrabutyl urea 347.78
    diisobutyl methanol 282.05
    2-phenylethanol 434.72
    styrene 652.34
    dioctyl adipate 497.15
    dimethyl sulfate 465.39
    ethyl butyrate 785.85
    methyl lactate 308.56
    butyl lactate 487.67
    diethyl carbonate 486.96
    propanediol butyl ether 485.19
    triethyl orthoformate 524.43
    p-tert-butyltoluene 242.93
    methyl 4-tert-butylbenzoate 561.89
    morpholine 1702.85
    tert-butylamine 609.55
    n-dodecanol 145.99
    dimethoxymethane 853.86
    ethylene carbonate 814.0
    cyrene 417.45
    2-ethoxyethyl acetate 882.8
    2-ethylhexyl acetate 709.26
    1,2,4-trichlorobenzene 1098.24
    4-methylpyridine 1650.41
    dibutyl ether 784.19
    2,6-dimethyl-4-heptanol 282.05
    DEF 1130.99
    dimethyl isosorbide 855.97
    tetrachloroethylene 1803.91
    eugenol 474.48
    triacetin 793.02
    span 80 554.82
    1,4-butanediol 136.96
    1,1-dichloroethane 2037.71
    2-methyl-1-pentanol 462.42
    methyl formate 324.19
    2-methyl-1-butanol 597.15
    n-decane 83.8
    butyronitrile 1002.84
    3,7-dimethyl-1-octanol 342.08
    1-chlorooctane 346.53
    1-chlorotetradecane 122.28
    n-nonane 87.97
    undecane 56.01
    tert-butylcyclohexane 153.84
    cyclooctane 201.69
    cyclopentanol 823.97
    tetrahydropyran 2337.4
    tert-amyl methyl ether 708.56
    2,5,8-trioxanonane 922.28
    1-hexene 807.77
    2-isopropoxyethanol 491.2
    2,2,2-trifluoroethanol 168.53
    methyl butyrate 1080.29

    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