Oxacyclohexadecenone

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  • Identifiers

    CAS number
    34902-57-3

    Molecular formula
    C15H26O2

    SMILES
    C1CCCCCCOC(=O)/C=C/CCCCC1

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Musk 83.23%
    Sweet 74.21%
    Fruity 65.08%
    Animal 55.91%
    Powdery 52.44%
    Waxy 51.71%
    Amber 43.36%
    Fatty 35.43%
    Balsamic 33.22%
    Dry 33.08%

     

    Flavor
    Fruity 41.49%
    Animal 31.34%
    Minty 23.51%
    Musk 21.74%
    Shrimp 21.48%
    Natural 19.99%
    Alkaline 19.51%
    Beet 18.86%
    Ripe apricot 18.75%
    Terpentine 18.73%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    11.92 (strong base)

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    328°C

    Flash point

    • 157.94 ˚C est.

  • Synonyms

    • 34902-57-3
    • OXACYCLOHEXADECEN-2-ONE
    • HABANOLIDE
    • Oxacyclohexadecenone
    • (3E)-1-oxacyclohexadec-3-en-2-one
    • Globalide 106114
    • GKS0KPO33V
    • Oxacyclohexadecenone [INCI]
    • UNII-GKS0KPO33V
    • GLOBALIDE
    • SCHEMBL756917
    • SCHEMBL756918
    • DTXSID4051374
    • KHLFMZDGADSQGR-ACCUITESSA-N
    • oxacyclohexadecen-2-one, AldrichCPR
    • Oxacyclohexadec-3-en-2-one, (3E)-
    • NS00003615
    • 609-040-9

  • Applications

    Oxacyclohexadecenone (CAS 34902-57-3) is primarily used as a specialty chemical intermediate in organic synthesis for fine chemicals and pharmaceutical-related products; it may function as a solvent or co-solvent in selective manufacturing processes; it serves as a building block for polymer and resin syntheses in specialty plastics; in coatings and inks it can be employed as a wetting agent or processing aid to adjust viscosity and flow; it is also evaluated as a fragrance intermediate for perfumery, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 830.89
    methanol 607.47
    isopropanol 850.3
    water 0.02
    ethyl acetate 1802.33
    n-propanol 796.89
    acetone 2403.36
    n-butanol 802.1
    acetonitrile 1024.1
    DMF 2381.79
    toluene 1192.26
    isobutanol 687.95
    1,4-dioxane 1741.28
    methyl acetate 1110.98
    THF 3483.14
    2-butanone 1683.5
    n-pentanol 543.26
    sec-butanol 777.1
    n-hexane 425.29
    ethylene glycol 61.85
    NMP 2087.18
    cyclohexane 828.06
    DMSO 2540.93
    n-butyl acetate 1419.76
    n-octanol 318.1
    chloroform 4349.64
    n-propyl acetate 1227.78
    acetic acid 816.78
    dichloromethane 4306.42
    cyclohexanone 3083.07
    propylene glycol 179.18
    isopropyl acetate 1239.2
    DMAc 1540.87
    2-ethoxyethanol 655.63
    isopentanol 789.78
    n-heptane 205.71
    ethyl formate 771.4
    1,2-dichloroethane 3131.53
    n-hexanol 613.15
    2-methoxyethanol 1023.61
    isobutyl acetate 760.53
    tetrachloromethane 654.37
    n-pentyl acetate 1029.8
    transcutol 3474.33
    n-heptanol 300.13
    ethylbenzene 534.44
    MIBK 1072.1
    2-propoxyethanol 900.37
    tert-butanol 1008.28
    MTBE 1309.89
    2-butoxyethanol 619.97
    propionic acid 743.8
    o-xylene 580.33
    formic acid 131.19
    diethyl ether 1775.4
    m-xylene 671.8
    p-xylene 636.21
    chlorobenzene 1588.14
    dimethyl carbonate 444.3
    n-octane 72.28
    formamide 296.65
    cyclopentanone 3161.99
    2-pentanone 1810.41
    anisole 851.46
    cyclopentyl methyl ether 1927.57
    gamma-butyrolactone 2944.3
    1-methoxy-2-propanol 1000.75
    pyridine 2658.37
    3-pentanone 1274.14
    furfural 2102.55
    n-dodecane 43.33
    diethylene glycol 421.49
    diisopropyl ether 585.79
    tert-amyl alcohol 834.91
    acetylacetone 1763.42
    n-hexadecane 53.28
    acetophenone 815.46
    methyl propionate 1182.09
    isopentyl acetate 1158.37
    trichloroethylene 4870.02
    n-nonanol 286.68
    cyclohexanol 1170.29
    benzyl alcohol 572.42
    2-ethylhexanol 450.26
    isooctanol 294.0
    dipropyl ether 952.77
    1,2-dichlorobenzene 1357.82
    ethyl lactate 381.3
    propylene carbonate 1524.94
    n-methylformamide 835.56
    2-pentanol 740.6
    n-pentane 310.89
    1-propoxy-2-propanol 840.06
    1-methoxy-2-propyl acetate 1053.59
    2-(2-methoxypropoxy) propanol 572.94
    mesitylene 450.82
    ε-caprolactone 2098.46
    p-cymene 293.33
    epichlorohydrin 2975.06
    1,1,1-trichloroethane 2616.58
    2-aminoethanol 234.31
    morpholine-4-carbaldehyde 1643.21
    sulfolane 3376.13
    2,2,4-trimethylpentane 109.2
    2-methyltetrahydrofuran 2549.83
    n-hexyl acetate 1124.93
    isooctane 100.23
    2-(2-butoxyethoxy)ethanol 905.29
    sec-butyl acetate 849.94
    tert-butyl acetate 1191.72
    decalin 232.91
    glycerin 230.19
    diglyme 1734.34
    acrylic acid 565.76
    isopropyl myristate 387.4
    n-butyric acid 1420.43
    acetyl acetate 962.32
    di(2-ethylhexyl) phthalate 289.69
    ethyl propionate 1023.93
    nitromethane 1659.63
    1,2-diethoxyethane 1454.78
    benzonitrile 1048.94
    trioctyl phosphate 219.38
    1-bromopropane 2026.17
    gamma-valerolactone 2910.03
    n-decanol 200.4
    triethyl phosphate 366.95
    4-methyl-2-pentanol 411.75
    propionitrile 1052.63
    vinylene carbonate 1240.15
    1,1,2-trichlorotrifluoroethane 1665.41
    DMS 754.18
    cumene 319.74
    2-octanol 258.08
    2-hexanone 1120.04
    octyl acetate 469.12
    limonene 508.27
    1,2-dimethoxyethane 1465.07
    ethyl orthosilicate 350.52
    tributyl phosphate 312.19
    diacetone alcohol 963.75
    N,N-dimethylaniline 533.33
    acrylonitrile 1234.85
    aniline 1077.65
    1,3-propanediol 461.61
    bromobenzene 1995.98
    dibromomethane 3115.1
    1,1,2,2-tetrachloroethane 4126.3
    2-methyl-cyclohexyl acetate 656.42
    tetrabutyl urea 406.04
    diisobutyl methanol 320.59
    2-phenylethanol 512.08
    styrene 762.08
    dioctyl adipate 562.43
    dimethyl sulfate 769.96
    ethyl butyrate 942.13
    methyl lactate 442.3
    butyl lactate 589.87
    diethyl carbonate 583.56
    propanediol butyl ether 545.83
    triethyl orthoformate 621.51
    p-tert-butyltoluene 282.46
    methyl 4-tert-butylbenzoate 658.36
    morpholine 2214.61
    tert-butylamine 751.3
    n-dodecanol 153.51
    dimethoxymethane 1285.09
    ethylene carbonate 1121.33
    cyrene 489.07
    2-ethoxyethyl acetate 1089.64
    2-ethylhexyl acetate 921.81
    1,2,4-trichlorobenzene 1481.63
    4-methylpyridine 2222.94
    dibutyl ether 902.73
    2,6-dimethyl-4-heptanol 320.59
    DEF 1789.88
    dimethyl isosorbide 1038.75
    tetrachloroethylene 2527.45
    eugenol 536.19
    triacetin 920.19
    span 80 609.08
    1,4-butanediol 166.16
    1,1-dichloroethane 2892.42
    2-methyl-1-pentanol 520.26
    methyl formate 561.0
    2-methyl-1-butanol 707.04
    n-decane 86.55
    butyronitrile 1306.83
    3,7-dimethyl-1-octanol 378.06
    1-chlorooctane 405.51
    1-chlorotetradecane 134.85
    n-nonane 90.71
    undecane 58.35
    tert-butylcyclohexane 171.54
    cyclooctane 228.56
    cyclopentanol 1137.01
    tetrahydropyran 2847.54
    tert-amyl methyl ether 939.97
    2,5,8-trioxanonane 1022.01
    1-hexene 1005.58
    2-isopropoxyethanol 547.71
    2,2,2-trifluoroethanol 247.26
    methyl butyrate 1400.94

    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