Isoambrettolide, (Z)-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    28645-51-4

    Molecular formula
    C16H28O2

    SMILES
    C1CCC/C=C\CCCCCCOC(=O)CCC1

  • Odor profile

    Fragrance
    Musk 89.11%
    Sweet 72.91%
    Animal 60.38%
    Fruity 58.11%
    Powdery 57.05%
    Waxy 55.11%
    Amber 49.44%
    Fatty 38.39%
    Dry 37.26%
    Clean 34.66%

     

    Flavor
    Fruity 46.16%
    Animal 34.56%
    Natural 23.63%
    Musk 23.25%
    Powdery 21.61%
    Shrimp 21.53%
    Minty 21.4%
    Alkaline 20.16%
    Beet 19.46%
    Plant 19.04%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    5.5

    pKa est.
    12.08 (strong base)

    Molecular weight
    252.39 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 185.00 to 190.00 °C. @ 16.00 mm Hg

    Flash point

    • 160.51 ˚C est.

    Solubility expt.

    • Soluble in non-polar solvents; insoluble in water
    • Soluble (in ethanol)

  • Synonyms

    • Oxacycloheptadec-10-en-2-one
    • Isoambrettolide
    • Cis-isoambrettolide
    • Isoambrettolide, (Z)-
    • (10Z)-1-oxacycloheptadec-10-en-2-one
    • 28645-51-4
    • FEMA no. 4145, Z-
    • UNII-9UY96U8Y3J
    • 9UY96U8Y3J
    • Oxacycloheptadec-10-en-2-one, (Z)-
    • Oxacycloheptadec-10-en-2-one, (10Z)-
    • 93635-21-3
    • UNII-0DI2GU512F
    • FEMA No. 2555
    • omega-6-Hexadecenlactone (natural)
    • EINECS 249-120-7
    • NSC 31697
    • 9-Hexadecenoic acid, 16-hydroxy-, o-lactone
    • oxacycloheptadec-10-en-2-on
    • SCHEMBL443515
    • 0DI2GU512F
    • 9-Hexadecenoic acid, o-lactone
    • CHEBI:192212
    • 10Z-oxacydoheptadec-10-en-2-one
    • NSC31697
    • NSC-31697
    • Delta9-Isoambrettolic acid, lactone (6CI)
    • NS00100389
    • 9-Hexadecenoic acid, 16-hydroxy-, O-lactone (7CI)
    • Q27273257
    • Scentolide

  • Applications

    Isoambrettolide (CAS 28645-51-4) is a premium macrocyclic musk with a soft, warm, slightly sweet ambrette-ambergris odor that is widely employed in fine fragrance compounding, body mists, personal-care formulations, scented candles and upscale detergents; thanks to its excellent substantivity, diffusive power and eco-friendly profile, it is typically used as a long-lasting base note to fix, round off and extend fruity, floral and oriental accords while replacing animal-derived musks, meeting IFRA limits and today’s vegan and sustainability demands.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 665.09
    methanol 484.54
    isopropanol 715.44
    water 0.02
    ethyl acetate 1414.4
    n-propanol 646.89
    acetone 1662.82
    n-butanol 707.65
    acetonitrile 782.46
    DMF 1399.67
    toluene 996.61
    isobutanol 561.23
    1,4-dioxane 1543.5
    methyl acetate 848.07
    THF 2646.98
    2-butanone 1239.12
    n-pentanol 505.79
    sec-butanol 652.48
    n-hexane 364.37
    ethylene glycol 47.47
    NMP 1349.48
    cyclohexane 739.57
    DMSO 1798.04
    n-butyl acetate 1150.68
    n-octanol 300.53
    chloroform 3707.6
    n-propyl acetate 1028.41
    acetic acid 653.68
    dichloromethane 3465.0
    cyclohexanone 2262.99
    propylene glycol 131.15
    isopropyl acetate 1016.9
    DMAc 1128.79
    2-ethoxyethanol 569.8
    isopentanol 697.0
    n-heptane 203.03
    ethyl formate 572.64
    1,2-dichloroethane 2241.0
    n-hexanol 545.68
    2-methoxyethanol 771.61
    isobutyl acetate 673.6
    tetrachloromethane 520.32
    n-pentyl acetate 886.34
    transcutol 3237.69
    n-heptanol 282.83
    ethylbenzene 492.49
    MIBK 884.85
    2-propoxyethanol 746.43
    tert-butanol 852.37
    MTBE 1082.12
    2-butoxyethanol 563.05
    propionic acid 563.49
    o-xylene 514.85
    formic acid 95.91
    diethyl ether 1512.13
    m-xylene 577.91
    p-xylene 577.92
    chlorobenzene 1257.01
    dimethyl carbonate 318.57
    n-octane 69.85
    formamide 190.76
    cyclopentanone 2196.67
    2-pentanone 1380.98
    anisole 732.84
    cyclopentyl methyl ether 1493.92
    gamma-butyrolactone 2069.68
    1-methoxy-2-propanol 780.65
    pyridine 2017.82
    3-pentanone 970.79
    furfural 1513.79
    n-dodecane 43.3
    diethylene glycol 343.03
    diisopropyl ether 500.02
    tert-amyl alcohol 705.23
    acetylacetone 1290.06
    n-hexadecane 52.27
    acetophenone 714.27
    methyl propionate 847.06
    isopentyl acetate 942.1
    trichloroethylene 3577.29
    n-nonanol 273.59
    cyclohexanol 988.98
    benzyl alcohol 515.74
    2-ethylhexanol 416.36
    isooctanol 274.11
    dipropyl ether 850.27
    1,2-dichlorobenzene 1086.61
    ethyl lactate 315.68
    propylene carbonate 1112.34
    n-methylformamide 489.75
    2-pentanol 651.65
    n-pentane 264.34
    1-propoxy-2-propanol 713.27
    1-methoxy-2-propyl acetate 842.16
    2-(2-methoxypropoxy) propanol 529.66
    mesitylene 387.49
    ε-caprolactone 1641.28
    p-cymene 268.56
    epichlorohydrin 2190.12
    1,1,1-trichloroethane 1944.15
    2-aminoethanol 173.74
    morpholine-4-carbaldehyde 1214.83
    sulfolane 2305.49
    2,2,4-trimethylpentane 99.99
    2-methyltetrahydrofuran 2022.52
    n-hexyl acetate 1001.19
    isooctane 90.16
    2-(2-butoxyethoxy)ethanol 831.73
    sec-butyl acetate 714.03
    tert-butyl acetate 981.61
    decalin 220.87
    glycerin 178.11
    diglyme 1542.24
    acrylic acid 403.53
    isopropyl myristate 354.42
    n-butyric acid 1179.66
    acetyl acetate 772.92
    di(2-ethylhexyl) phthalate 273.37
    ethyl propionate 846.97
    nitromethane 1148.47
    1,2-diethoxyethane 1327.58
    benzonitrile 852.92
    trioctyl phosphate 204.37
    1-bromopropane 1594.62
    gamma-valerolactone 2119.9
    n-decanol 191.86
    triethyl phosphate 328.21
    4-methyl-2-pentanol 366.11
    propionitrile 814.37
    vinylene carbonate 917.05
    1,1,2-trichlorotrifluoroethane 1249.27
    DMS 626.93
    cumene 298.8
    2-octanol 236.25
    2-hexanone 925.73
    octyl acetate 429.96
    limonene 464.55
    1,2-dimethoxyethane 1219.3
    ethyl orthosilicate 315.76
    tributyl phosphate 283.14
    diacetone alcohol 774.08
    N,N-dimethylaniline 476.03
    acrylonitrile 870.72
    aniline 871.71
    1,3-propanediol 359.73
    bromobenzene 1580.18
    dibromomethane 2548.26
    1,1,2,2-tetrachloroethane 3071.21
    2-methyl-cyclohexyl acetate 576.79
    tetrabutyl urea 364.45
    diisobutyl methanol 291.22
    2-phenylethanol 448.98
    styrene 686.66
    dioctyl adipate 518.79
    dimethyl sulfate 514.31
    ethyl butyrate 828.19
    methyl lactate 327.64
    butyl lactate 510.71
    diethyl carbonate 514.16
    propanediol butyl ether 497.86
    triethyl orthoformate 550.8
    p-tert-butyltoluene 254.81
    methyl 4-tert-butylbenzoate 588.48
    morpholine 1796.73
    tert-butylamine 630.83
    n-dodecanol 149.2
    dimethoxymethane 912.08
    ethylene carbonate 868.63
    cyrene 436.26
    2-ethoxyethyl acetate 931.2
    2-ethylhexyl acetate 750.74
    1,2,4-trichlorobenzene 1176.32
    4-methylpyridine 1753.0
    dibutyl ether 819.42
    2,6-dimethyl-4-heptanol 291.22
    DEF 1231.0
    dimethyl isosorbide 901.01
    tetrachloroethylene 1938.81
    eugenol 493.36
    triacetin 832.82
    span 80 573.5
    1,4-butanediol 139.11
    1,1-dichloroethane 2175.21
    2-methyl-1-pentanol 472.9
    methyl formate 352.66
    2-methyl-1-butanol 617.65
    n-decane 86.66
    butyronitrile 1048.12
    3,7-dimethyl-1-octanol 353.82
    1-chlorooctane 363.1
    1-chlorotetradecane 127.0
    n-nonane 90.7
    undecane 57.71
    tert-butylcyclohexane 161.25
    cyclooctane 212.71
    cyclopentanol 869.65
    tetrahydropyran 2449.64
    tert-amyl methyl ether 757.67
    2,5,8-trioxanonane 955.04
    1-hexene 836.11
    2-isopropoxyethanol 504.61
    2,2,2-trifluoroethanol 181.92
    methyl butyrate 1145.47

    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