Oxacycloheptadec-7-en-2-one

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  • Identifiers

    CAS number
    223104-10-7

    Molecular formula
    C16H28O2

    SMILES
    C1CCCC/C=C/CCCCC(=O)OCCCC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Musk 89.08%
    Sweet 72.99%
    Animal 60.29%
    Fruity 58.15%
    Powdery 57.12%
    Waxy 54.93%
    Amber 49.49%
    Fatty 38.11%
    Dry 37.32%
    Clean 34.64%

    Scent© AI

  • Properties

    XLogP3-AA
    5.5

    Molecular weight
    252.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 28.5 °C

    Boiling point

    • 185.00 to 190.00 °C. @ 16.00 mm Hg

    Flash point est.
    161.88 ˚C

  • Synonyms

    • D6-Ambrettolide
    • FEMA no. 2555, E-
    • UNII-2W0Q53EZ7G
    • Oxacycloheptadec-7-en-2-one, (7E)-
    • 2W0Q53EZ7G
    • omega-6-Hexadecenlactone, (E)-
    • 223104-10-7
    • Oxacycloheptadec-7-en-2-one
    • 6-Hexadecen-1,16-olide
    • (E)-omega-6-hexadecenlactone
    • Aa degrees -6-Hexadecenlactone
    • SCHEMBL3854227
    • CHEMBL1866595
    • A?a degrees -6-Hexadecenlactone
    • FEMA 2555
    • DTXSID20860027
    • CHEBI:180521
    • omega-6-Hexadecenlactone, >=98%
    • (7E)-Oxacycloheptadec-7-en-2-one
    • NCGC00091130-02
    • AS-88015
    • .OMEGA.-6-HEXADECENLACTONE, (E)-
    • NS00043336
    • Q27255679

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 721.32
    methanol 535.67
    isopropanol 752.86
    water 0.02
    ethyl acetate 1271.77
    n-propanol 689.68
    acetone 1530.4
    n-butanol 740.36
    acetonitrile 744.75
    DMF 1231.91
    toluene 857.22
    isobutanol 570.46
    1,4-dioxane 1439.05
    methyl acetate 762.78
    THF 2376.13
    2-butanone 1134.69
    n-pentanol 531.98
    sec-butanol 669.87
    n-hexane 333.24
    ethylene glycol 50.26
    NMP 1113.3
    cyclohexane 649.67
    DMSO 1723.46
    n-butyl acetate 1052.17
    n-octanol 300.96
    chloroform 3296.25
    n-propyl acetate 961.23
    acetic acid 634.17
    dichloromethane 3045.53
    cyclohexanone 1946.08
    propylene glycol 136.7
    isopropyl acetate 930.26
    DMAc 983.62
    2-ethoxyethanol 581.14
    isopentanol 698.26
    n-heptane 188.26
    ethyl formate 537.3
    1,2-dichloroethane 1976.77
    n-hexanol 554.75
    2-methoxyethanol 768.9
    isobutyl acetate 633.43
    tetrachloromethane 445.59
    n-pentyl acetate 811.59
    transcutol 3194.24
    n-heptanol 284.08
    ethylbenzene 441.53
    MIBK 812.67
    2-propoxyethanol 746.65
    tert-butanol 854.19
    MTBE 986.33
    2-butoxyethanol 559.01
    propionic acid 542.85
    o-xylene 446.61
    formic acid 94.9
    diethyl ether 1431.87
    m-xylene 505.94
    p-xylene 512.13
    chlorobenzene 1114.28
    dimethyl carbonate 274.76
    n-octane 65.39
    formamide 178.06
    cyclopentanone 1904.95
    2-pentanone 1258.32
    anisole 671.12
    cyclopentyl methyl ether 1303.1
    gamma-butyrolactone 1795.56
    1-methoxy-2-propanol 776.12
    pyridine 1814.75
    3-pentanone 852.09
    furfural 1334.94
    n-dodecane 41.4
    diethylene glycol 346.03
    diisopropyl ether 455.79
    tert-amyl alcohol 680.1
    acetylacetone 1139.39
    n-hexadecane 49.45
    acetophenone 650.8
    methyl propionate 744.13
    isopentyl acetate 861.04
    trichloroethylene 3108.07
    n-nonanol 271.93
    cyclohexanol 929.92
    benzyl alcohol 494.64
    2-ethylhexanol 408.52
    isooctanol 271.44
    dipropyl ether 806.9
    1,2-dichlorobenzene 942.51
    ethyl lactate 300.43
    propylene carbonate 965.15
    n-methylformamide 448.69
    2-pentanol 658.51
    n-pentane 240.28
    1-propoxy-2-propanol 698.11
    1-methoxy-2-propyl acetate 768.72
    2-(2-methoxypropoxy) propanol 508.31
    mesitylene 342.08
    ε-caprolactone 1454.39
    p-cymene 244.43
    epichlorohydrin 1953.41
    1,1,1-trichloroethane 1681.95
    2-aminoethanol 183.21
    morpholine-4-carbaldehyde 1075.97
    sulfolane 1961.55
    2,2,4-trimethylpentane 89.86
    2-methyltetrahydrofuran 1827.7
    n-hexyl acetate 921.4
    isooctane 83.02
    2-(2-butoxyethoxy)ethanol 808.09
    sec-butyl acetate 656.64
    tert-butyl acetate 894.07
    decalin 193.2
    glycerin 181.2
    diglyme 1460.25
    acrylic acid 378.86
    isopropyl myristate 327.56
    n-butyric acid 1134.09
    acetyl acetate 688.53
    di(2-ethylhexyl) phthalate 256.9
    ethyl propionate 768.22
    nitromethane 1031.3
    1,2-diethoxyethane 1241.89
    benzonitrile 786.15
    trioctyl phosphate 193.26
    1-bromopropane 1462.08
    gamma-valerolactone 1845.77
    n-decanol 190.27
    triethyl phosphate 297.72
    4-methyl-2-pentanol 362.23
    propionitrile 782.11
    vinylene carbonate 820.36
    1,1,2-trichlorotrifluoroethane 1119.25
    DMS 555.91
    cumene 271.0
    2-octanol 231.3
    2-hexanone 874.24
    octyl acetate 396.5
    limonene 412.85
    1,2-dimethoxyethane 1170.95
    ethyl orthosilicate 289.86
    tributyl phosphate 261.59
    diacetone alcohol 718.56
    N,N-dimethylaniline 434.11
    acrylonitrile 813.34
    aniline 781.8
    1,3-propanediol 372.79
    bromobenzene 1370.18
    dibromomethane 2281.66
    1,1,2,2-tetrachloroethane 2644.04
    2-methyl-cyclohexyl acetate 524.36
    tetrabutyl urea 336.46
    diisobutyl methanol 282.01
    2-phenylethanol 429.7
    styrene 624.19
    dioctyl adipate 478.78
    dimethyl sulfate 433.94
    ethyl butyrate 757.8
    methyl lactate 305.46
    butyl lactate 480.38
    diethyl carbonate 465.46
    propanediol butyl ether 496.79
    triethyl orthoformate 504.5
    p-tert-butyltoluene 231.23
    methyl 4-tert-butylbenzoate 544.31
    morpholine 1675.82
    tert-butylamine 618.19
    n-dodecanol 147.23
    dimethoxymethane 849.07
    ethylene carbonate 768.33
    cyrene 408.68
    2-ethoxyethyl acetate 856.57
    2-ethylhexyl acetate 679.8
    1,2,4-trichlorobenzene 1012.11
    4-methylpyridine 1562.1
    dibutyl ether 770.69
    2,6-dimethyl-4-heptanol 282.01
    DEF 1076.66
    dimethyl isosorbide 823.9
    tetrachloroethylene 1682.53
    eugenol 468.16
    triacetin 769.33
    span 80 550.36
    1,4-butanediol 148.39
    1,1-dichloroethane 1943.03
    2-methyl-1-pentanol 479.85
    methyl formate 319.1
    2-methyl-1-butanol 614.7
    n-decane 82.28
    butyronitrile 1013.43
    3,7-dimethyl-1-octanol 341.32
    1-chlorooctane 337.51
    1-chlorotetradecane 117.85
    n-nonane 86.28
    undecane 54.91
    tert-butylcyclohexane 145.74
    cyclooctane 184.0
    cyclopentanol 812.23
    tetrahydropyran 2271.43
    tert-amyl methyl ether 678.9
    2,5,8-trioxanonane 914.95
    1-hexene 797.33
    2-isopropoxyethanol 507.05
    2,2,2-trifluoroethanol 164.77
    methyl butyrate 1048.06

    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