Oxacycloheptadec-8-en-2-one, (8Z)-

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  • Identifiers

    CAS number
    123-69-3

    Molecular formula
    C16H28O2

    SMILES
    C1CCCCOC(=O)CCCCC/C=C\CCC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Musk 89.12%
    Sweet 72.86%
    Animal 60.41%
    Fruity 58.1%
    Powdery 57.09%
    Waxy 55.1%
    Amber 49.46%
    Fatty 38.37%
    Dry 37.29%
    Clean 34.68%

    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

    Boiling point

    • 398.00 to 399.00 °C. @ 760.00 mm Hg

    Flash point est.
    161.73 ˚C

  • Synonyms

    • Ambrettolid
    • Ambrettolide
    • 123-69-3
    • Musk natural
    • Natural musk ambrette
    • Oxacycloheptadec-8-en-2-one
    • (8Z)-1-oxacycloheptadec-8-en-2-one
    • Musk
    • Oxacycloheptadec-8-en-2-one, (8Z)-
    • Musk ambrette (natural)
    • omega-6-Hexadecenlactone
    • Hexadec-7-en-16-olide
    • (Z)-Oxacycloheptadec-8-en-2-one
    • OXACYCLOHEPTADEC-8-EN-2-ONE, (Z)-
    • 16-Hydroxy-7-hexadecenoic acid lactone
    • (Z)-7-Hexadecen-1,16-olide
    • Musk ambrette, natural
    • (Z)-7-Hexadecen-16-olide
    • (8Z)-Oxacycloheptadec-8-en-2-one
    • 095I377U8F
    • 7-HEXADECEN-16-OLIDE, (Z)-
    • EINECS 204-644-5
    • AI3-30957
    • UNII-095I377U8F
    • Oxacycloheptadec-7-en-2-one; 1-Oxa-7-cycloheptadecen-2-one; 16-Hydroxy-6-hexadecenoic Acid Lactone; 16-Hydroxy-6-hexadecenoic Acid ?-Lactone
    • 7-Hexadecen-16-olid
    • MUSK [WHO-DD]
    • SCHEMBL1539181
    • CHEMBL3727440
    • 8Z-oxacycloheptadec-8-en-2-one
    • FEMA 2758
    • DTXCID00809959
    • DTXSID20881237
    • CHEBI:189999
    • AKOS015914244
    • NCGC00178599-01
    • NS00012531
    • 16-Hydroxy-7-hexadecenoic acid lactone, cis-
    • Q4064043
    • 94300-41-1

  • Applications

    (8Z)-Oxacycloheptadec-8-en-2-one (CAS 123-69-3) is a macrocyclic lactone with a refined ambrette–musky odor used widely as a key odorant and fixative in fine fragrances, cosmetics and personal care (creams, shampoos, shower gels), and as a long-lasting scent ingredient in detergents and fabric softeners; characterized by low volatility, good formulation stability and strong substantivity on skin, hair and textiles, it reinforces floral, fruity, woody and musky accords while masking base off-notes; it is also employed at very low levels in certain food-flavor applications to impart creamy, ripe-fruity, soft musk nuances, serves as a GC/LC analytical reference in aroma research, and functions as a model macrocycle in synthesis, microencapsulation and controlled-release fragrance systems for textiles and consumer products.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 719.87
    methanol 536.65
    isopropanol 741.12
    water 0.02
    ethyl acetate 1302.57
    n-propanol 672.34
    acetone 1542.23
    n-butanol 725.24
    acetonitrile 748.21
    DMF 1230.16
    toluene 876.03
    isobutanol 558.43
    1,4-dioxane 1461.89
    methyl acetate 770.61
    THF 2420.02
    2-butanone 1125.93
    n-pentanol 514.48
    sec-butanol 652.35
    n-hexane 321.75
    ethylene glycol 50.12
    NMP 1141.41
    cyclohexane 663.4
    DMSO 1712.93
    n-butyl acetate 1057.16
    n-octanol 293.05
    chloroform 3358.15
    n-propyl acetate 951.97
    acetic acid 640.56
    dichloromethane 3119.89
    cyclohexanone 1988.35
    propylene glycol 134.5
    isopropyl acetate 939.25
    DMAc 988.62
    2-ethoxyethanol 568.33
    isopentanol 688.08
    n-heptane 184.97
    ethyl formate 541.16
    1,2-dichloroethane 2019.56
    n-hexanol 539.83
    2-methoxyethanol 761.39
    isobutyl acetate 627.46
    tetrachloromethane 457.76
    n-pentyl acetate 809.71
    transcutol 3154.79
    n-heptanol 277.56
    ethylbenzene 443.1
    MIBK 807.91
    2-propoxyethanol 731.58
    tert-butanol 838.78
    MTBE 982.99
    2-butoxyethanol 551.08
    propionic acid 542.9
    o-xylene 454.13
    formic acid 96.27
    diethyl ether 1431.3
    m-xylene 513.59
    p-xylene 517.47
    chlorobenzene 1133.68
    dimethyl carbonate 279.41
    n-octane 64.81
    formamide 181.5
    cyclopentanone 1938.05
    2-pentanone 1258.28
    anisole 670.32
    cyclopentyl methyl ether 1316.39
    gamma-butyrolactone 1834.13
    1-methoxy-2-propanol 758.2
    pyridine 1844.97
    3-pentanone 856.66
    furfural 1359.31
    n-dodecane 41.21
    diethylene glycol 343.33
    diisopropyl ether 451.85
    tert-amyl alcohol 669.62
    acetylacetone 1160.04
    n-hexadecane 49.36
    acetophenone 649.93
    methyl propionate 757.94
    isopentyl acetate 864.66
    trichloroethylene 3178.21
    n-nonanol 266.27
    cyclohexanol 928.54
    benzyl alcohol 487.58
    2-ethylhexanol 400.33
    isooctanol 264.62
    dipropyl ether 792.12
    1,2-dichlorobenzene 957.2
    ethyl lactate 296.91
    propylene carbonate 991.63
    n-methylformamide 450.76
    2-pentanol 642.48
    n-pentane 239.18
    1-propoxy-2-propanol 685.92
    1-methoxy-2-propyl acetate 773.06
    2-(2-methoxypropoxy) propanol 501.45
    mesitylene 344.66
    ε-caprolactone 1473.23
    p-cymene 245.18
    epichlorohydrin 1988.18
    1,1,1-trichloroethane 1719.9
    2-aminoethanol 180.39
    morpholine-4-carbaldehyde 1087.5
    sulfolane 2010.2
    2,2,4-trimethylpentane 88.53
    2-methyltetrahydrofuran 1840.54
    n-hexyl acetate 918.53
    isooctane 81.53
    2-(2-butoxyethoxy)ethanol 800.47
    sec-butyl acetate 655.22
    tert-butyl acetate 895.91
    decalin 194.19
    glycerin 179.55
    diglyme 1457.52
    acrylic acid 380.09
    isopropyl myristate 325.67
    n-butyric acid 1143.27
    acetyl acetate 709.32
    di(2-ethylhexyl) phthalate 255.81
    ethyl propionate 769.47
    nitromethane 1058.0
    1,2-diethoxyethane 1245.96
    benzonitrile 784.93
    trioctyl phosphate 191.87
    1-bromopropane 1470.48
    gamma-valerolactone 1877.62
    n-decanol 185.96
    triethyl phosphate 300.04
    4-methyl-2-pentanol 354.11
    propionitrile 775.62
    vinylene carbonate 833.81
    1,1,2-trichlorotrifluoroethane 1128.29
    DMS 562.08
    cumene 271.07
    2-octanol 225.34
    2-hexanone 857.02
    octyl acetate 394.7
    limonene 417.62
    1,2-dimethoxyethane 1154.59
    ethyl orthosilicate 290.45
    tributyl phosphate 260.57
    diacetone alcohol 715.82
    N,N-dimethylaniline 431.82
    acrylonitrile 813.67
    aniline 786.69
    1,3-propanediol 369.75
    bromobenzene 1401.64
    dibromomethane 2334.28
    1,1,2,2-tetrachloroethane 2699.4
    2-methyl-cyclohexyl acetate 525.2
    tetrabutyl urea 335.56
    diisobutyl methanol 275.47
    2-phenylethanol 427.05
    styrene 623.16
    dioctyl adipate 479.35
    dimethyl sulfate 442.11
    ethyl butyrate 762.12
    methyl lactate 303.55
    butyl lactate 476.71
    diethyl carbonate 471.19
    propanediol butyl ether 485.93
    triethyl orthoformate 506.01
    p-tert-butyltoluene 230.68
    methyl 4-tert-butylbenzoate 542.21
    morpholine 1684.75
    tert-butylamine 608.2
    n-dodecanol 144.38
    dimethoxymethane 848.24
    ethylene carbonate 787.78
    cyrene 408.21
    2-ethoxyethyl acetate 858.08
    2-ethylhexyl acetate 682.94
    1,2,4-trichlorobenzene 1030.68
    4-methylpyridine 1577.82
    dibutyl ether 759.66
    2,6-dimethyl-4-heptanol 275.47
    DEF 1082.46
    dimethyl isosorbide 830.61
    tetrachloroethylene 1719.14
    eugenol 463.17
    triacetin 768.88
    span 80 545.48
    1,4-butanediol 144.11
    1,1-dichloroethane 1969.87
    2-methyl-1-pentanol 464.69
    methyl formate 323.02
    2-methyl-1-butanol 600.86
    n-decane 81.4
    butyronitrile 1005.32
    3,7-dimethyl-1-octanol 334.62
    1-chlorooctane 335.15
    1-chlorotetradecane 117.48
    n-nonane 84.91
    undecane 54.52
    tert-butylcyclohexane 144.79
    cyclooctane 185.52
    cyclopentanol 810.33
    tetrahydropyran 2286.3
    tert-amyl methyl ether 675.69
    2,5,8-trioxanonane 913.6
    1-hexene 773.1
    2-isopropoxyethanol 495.28
    2,2,2-trifluoroethanol 167.98
    methyl butyrate 1050.12

    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

Botanical

Name CAS Botanical Proportion
Ambrette seed 1 8015-62-1 Hibiscus abelmoschus L. (Abelmoschus moschatus Moench), fam. Malvaceae 10.32%