Oxacyclohexadecan-2-One

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    106-02-5

    Molecular formula
    C15H28O2

    SMILES
    C1CCCCCCCOC(=O)CCCCCC1

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • Carbowax: 2255.0

  • Odor profile

    Musk 91.0%
    Sweet 78.61%
    Animal 65.85%
    Powdery 57.95%
    Waxy 55.14%
    Fruity 54.2%
    Amber 53.19%
    Fatty 39.78%
    Woody 36.58%
    Dry 36.52%

    Scent© AI

  • Properties

    XLogP3-AA
    5.8

    Molecular weight
    240.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 52 - 53 °C

    Boiling point

    • 137.00 °C. @ 2.00 mm Hg

    Flash point est.
    154.82 ˚C

  • Synonyms

    • Oxacyclohexadecan-2-one
    • 106-02-5
    • Cyclopentadecanolide
    • Exaltolide
    • Pentadecanolide
    • Pentalide
    • 15-Pentadecanolide
    • Pentadecan-15-olide
    • PENTADECALACTONE
    • Muskolactone
    • Thibetolide
    • omega-Pentadecalactone
    • Muskalactone
    • 2-Pentadecalone
    • 15-Pentadecanolactone
    • 1,15-Pentadecanolide
    • Pentadecanolactone
    • 1-oxacyclohexadecan-2-one
    • 1-Oxa-2-cyclohexadecanone
    • 15-Hydroxypentadecanoic acid lactone
    • FEMA No. 2840
    • w-pentadecalactone
    • NSC 36763
    • cyclopentadecalactone
    • EXALTEX
    • CCRIS 3682
    • OK17S3S98K
    • Cyclopentadecanolactone
    • DTXSID6044359
    • pentadecano-15-lactone
    • .OMEGA.-LACTONE
    • EXALTOLIDE [MI]
    • EINECS 203-354-6
    • MFCD00039667
    • NSC-36763
    • Pentadecanoic acid, 15-hydroxy-, .xi.-lactone
    • 15-Hydroxypentadecanoic acid, lactone
    • 14-Oxytetradecane carbonic acid lactone
    • PENTADECALACTONE [II]
    • AI3-30956
    • .OMEGA.-PENTADECALACTONE
    • DTXCID4024359
    • Pentadecanoic acid, 15-hydroxy-, xi-lactone
    • CPE-215
    • EC 203-354-6
    • OMEGA-PENTADECALACTONE [FCC]
    • 15-HYDROXYPENTADECA-NOIC ACID
    • .OMEGA.-PENTADECALACTONE [FHFI]
    • 15-Hydroxypentadecanoic acid-epsilon-lactone
    • PENTADECALACTONE (II)
    • UNII-OK17S3S98K
    • ?-Pentadecalactone
    • OMEGA-LACTONE
    • Pentadecanolide, 98%
    • 15-Oxypentadecenlactone
    • 1,15 -pentadecanolide
    • 1, 15-Pentadecanolide
    • SCHEMBL114310
    • PENTADECALACTONE [INCI]
    • CHEMBL3560504
    • FEMA 2840
    • Pentadecanoic acid, .xi.-lactone
    • CHEBI:177420
    • NSC36763
    • Pentadecanolide, analytical standard
    • Tox21_301123
    • Oxacyclohexadecan-2-one, 9CI, 8CI
    • STL560823
    • omega-Pentadecalactone, >=98%, FG
    • AKOS015964064
    • AC-9864
    • HY-W035362
    • NCGC00248297-01
    • NCGC00255022-01
    • AS-57924
    • CAS-106-02-5
    • FC167545
    • DB-040675
    • CS-0085751
    • NS00007638
    • P0985
    • Pentadecanolide, puriss., >=99.0% (GC)
    • EN300-254580
    • F20373
    • Q9251595
    • BRD-K36982194-001-01-6
    • Z57959539
    • Pentadecanoic acid, 15-hydroxy-, laquo Xiraquo -lactone
    • Pentadecanoic acid, 15-hydroxy-, xi-lactone (6CI,7CI)
    • 203-354-6
    • 36486-90-5
    • Macrolide Supra

  • Applications

    ω-Pentadecalactone (PDL, CAS 106-02-5) is a 15-membered macrolactone with a soft, sweet musky odour that makes it valuable to the fragrance and cosmetic sectors for delivering persistent, warm base notes in perfumes, soaps and detergents, and it is FEMA/FDA-approved as a trace flavour ingredient for confectionery, baked goods and beverages; its hydrophobicity and high crystallinity also render PDL an excellent monomer for microbial or enzyme-catalysed synthesis of poly(ω-pentadecalactone), a semicrystalline, slowly biodegradable polyester with good mechanical strength and biocompatibility used in absorbable sutures, drug-delivery systems, tissue-engineering scaffolds, anticorrosive coatings, biolubricants and edible films; moreover, neat PDL functions as a plasticiser or reactive chain extender that boosts flexibility, hydrolytic resistance and low-temperature performance in polyurethanes, epoxies, hot-melt adhesives and bio-based 3-D printing resins.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 716.89
    methanol 569.57
    isopropanol 859.24
    water 0.04
    ethyl acetate 2110.54
    n-propanol 803.09
    acetone 2320.38
    n-butanol 786.42
    acetonitrile 1236.11
    DMF 2589.85
    toluene 1271.15
    isobutanol 699.67
    1,4-dioxane 2010.08
    methyl acetate 1300.06
    THF 3904.33
    2-butanone 1826.42
    n-pentanol 527.88
    sec-butanol 775.97
    n-hexane 446.96
    ethylene glycol 67.51
    NMP 2541.53
    cyclohexane 1002.92
    DMSO 2369.22
    n-butyl acetate 1765.59
    n-octanol 402.98
    chloroform 5841.18
    n-propyl acetate 1590.59
    acetic acid 1000.39
    dichloromethane 5358.84
    cyclohexanone 3825.02
    propylene glycol 182.16
    isopropyl acetate 1605.87
    DMAc 1816.54
    2-ethoxyethanol 707.89
    isopentanol 834.22
    n-heptane 298.3
    ethyl formate 1007.22
    1,2-dichloroethane 3456.56
    n-hexanol 598.38
    2-methoxyethanol 1105.07
    isobutyl acetate 1021.05
    tetrachloromethane 980.5
    n-pentyl acetate 1525.12
    transcutol 3321.47
    n-heptanol 364.81
    ethylbenzene 643.71
    MIBK 1258.72
    2-propoxyethanol 923.36
    tert-butanol 1087.74
    MTBE 1448.67
    2-butoxyethanol 776.76
    propionic acid 948.11
    o-xylene 722.09
    formic acid 163.5
    diethyl ether 1689.22
    m-xylene 764.91
    p-xylene 859.04
    chlorobenzene 1929.31
    dimethyl carbonate 540.84
    n-octane 107.62
    formamide 369.6
    cyclopentanone 3935.21
    2-pentanone 1982.07
    anisole 1052.41
    cyclopentyl methyl ether 2197.58
    gamma-butyrolactone 3763.82
    1-methoxy-2-propanol 1078.71
    pyridine 3146.05
    3-pentanone 1468.67
    furfural 2741.52
    n-dodecane 63.6
    diethylene glycol 430.21
    diisopropyl ether 675.83
    tert-amyl alcohol 913.35
    acetylacetone 2166.38
    n-hexadecane 78.54
    acetophenone 1103.14
    methyl propionate 1359.08
    isopentyl acetate 1457.68
    trichloroethylene 5775.22
    n-nonanol 372.45
    cyclohexanol 1371.88
    benzyl alcohol 695.93
    2-ethylhexanol 539.12
    isooctanol 373.69
    dipropyl ether 1233.28
    1,2-dichlorobenzene 1782.07
    ethyl lactate 464.99
    propylene carbonate 2092.58
    n-methylformamide 999.21
    2-pentanol 737.54
    n-pentane 313.61
    1-propoxy-2-propanol 942.84
    1-methoxy-2-propyl acetate 1264.08
    2-(2-methoxypropoxy) propanol 668.74
    mesitylene 538.63
    ε-caprolactone 2778.27
    p-cymene 406.23
    epichlorohydrin 3424.49
    1,1,1-trichloroethane 3395.42
    2-aminoethanol 244.34
    morpholine-4-carbaldehyde 2113.41
    sulfolane 4163.68
    2,2,4-trimethylpentane 133.89
    2-methyltetrahydrofuran 2747.93
    n-hexyl acetate 1536.28
    isooctane 116.65
    2-(2-butoxyethoxy)ethanol 1040.35
    sec-butyl acetate 1120.19
    tert-butyl acetate 1541.74
    decalin 319.33
    glycerin 254.51
    diglyme 2116.69
    acrylic acid 737.49
    isopropyl myristate 533.82
    n-butyric acid 1850.95
    acetyl acetate 1325.47
    di(2-ethylhexyl) phthalate 377.15
    ethyl propionate 1344.22
    nitromethane 2059.47
    1,2-diethoxyethane 1630.68
    benzonitrile 1357.73
    trioctyl phosphate 290.27
    1-bromopropane 2146.83
    gamma-valerolactone 3781.54
    n-decanol 255.0
    triethyl phosphate 528.3
    4-methyl-2-pentanol 470.14
    propionitrile 1309.23
    vinylene carbonate 1711.87
    1,1,2-trichlorotrifluoroethane 2044.64
    DMS 984.5
    cumene 412.45
    2-octanol 342.7
    2-hexanone 1350.98
    octyl acetate 629.24
    limonene 685.74
    1,2-dimethoxyethane 1773.15
    ethyl orthosilicate 496.53
    tributyl phosphate 425.92
    diacetone alcohol 1142.22
    N,N-dimethylaniline 665.4
    acrylonitrile 1546.43
    aniline 1225.81
    1,3-propanediol 504.0
    bromobenzene 2423.16
    dibromomethane 3679.37
    1,1,2,2-tetrachloroethane 4943.96
    2-methyl-cyclohexyl acetate 885.54
    tetrabutyl urea 538.57
    diisobutyl methanol 404.13
    2-phenylethanol 595.4
    styrene 921.73
    dioctyl adipate 767.37
    dimethyl sulfate 924.03
    ethyl butyrate 1315.51
    methyl lactate 522.49
    butyl lactate 807.15
    diethyl carbonate 785.86
    propanediol butyl ether 639.09
    triethyl orthoformate 871.87
    p-tert-butyltoluene 383.63
    methyl 4-tert-butylbenzoate 901.86
    morpholine 2470.33
    tert-butylamine 803.04
    n-dodecanol 193.65
    dimethoxymethane 1318.78
    ethylene carbonate 1623.54
    cyrene 588.06
    2-ethoxyethyl acetate 1421.77
    2-ethylhexyl acetate 1204.65
    1,2,4-trichlorobenzene 1896.95
    4-methylpyridine 2649.45
    dibutyl ether 1170.93
    2,6-dimethyl-4-heptanol 404.13
    DEF 2159.33
    dimethyl isosorbide 1263.53
    tetrachloroethylene 3239.99
    eugenol 667.94
    triacetin 1249.86
    span 80 753.39
    1,4-butanediol 185.81
    1,1-dichloroethane 3424.64
    2-methyl-1-pentanol 529.9
    methyl formate 684.24
    2-methyl-1-butanol 724.92
    n-decane 130.47
    butyronitrile 1529.47
    3,7-dimethyl-1-octanol 478.47
    1-chlorooctane 544.69
    1-chlorotetradecane 189.55
    n-nonane 138.95
    undecane 85.37
    tert-butylcyclohexane 237.73
    cyclooctane 296.52
    cyclopentanol 1371.61
    tetrahydropyran 3004.44
    tert-amyl methyl ether 1092.19
    2,5,8-trioxanonane 1212.17
    1-hexene 986.41
    2-isopropoxyethanol 624.72
    2,2,2-trifluoroethanol 374.51
    methyl butyrate 1869.47

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.42 % Category 7A
Rinse-off products applied to the hair with some hand contact
 4.8 %
Category 2
Products applied to the axillae
 0.13 % Category 7B
Leave-on products applied to the hair with some hand contact
 4.8 %
Category 3
Products applied to the face/body using fingertips
 2.5 % Category 8
Products with significant anogenital exposure
 0.2 %
Category 4
Products related to fine fragrance
 2.4 % Category 9
Products with body and hand exposure, primarily rinse off
 4.6 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.6 % Category 10A
Household care products with mostly hand contact
 4.6 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.6 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 17 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.6 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.2 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.2 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.2 %
Category 6
Products with oral and lip exposure
 1.4 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Angelica root (Finland) 1 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 0.37%
Angelica (norvegica) tap root 8015-64-3 Angelica archangelica L. var. norvegica, fam. Apiaceae (Umbelliferae) 1.08%
Angelica (norvegica) lateral root 8015-64-3 Angelica archangelica L. var. norvegica, fam. Apiaceae (Umbelliferae) 0.88%
Angelica (sativa) tap root 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 0.87%
Angelica (sativa) lateral root 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 0.68%
Angelica root (Finland) 2 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 8.0%
Angelica root 1 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 0.22%
Angelica root (Finland) 4 8015-64-3 Angelica archangelica L. var. archangelica, fam. Apiaceae (Umbelliferae) 3.55%
Angelica root (Finland) 3 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 5.0%
Angelica root (France) 1 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 0.85%
Angelica root 2 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 1.1%
Angelica (sativa) fruit 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 0.3%
Leea guineensis (Cameroon) 1a wood Leea guineensis G. Don, fam. Leeaceae 3.2%
Sage, ssp. altissima (Cuba) Salvia officinalis L. ssp. altissima, fam. Lamiaceae (Labiatae) 0.01%