Oxacyclotetradecan-2-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1725-04-8

    Molecular formula
    C13H24O2

    SMILES
    C1CCCCCCOC(=O)CCCCC1

  • Odor profile

    Musk 89.54%
    Sweet 80.0%
    Animal 65.16%
    Fruity 59.3%
    Powdery 56.3%
    Waxy 55.66%
    Amber 50.81%
    Fatty 41.89%
    Woody 37.93%
    Floral 36.98%

    Scent© AI

  • Properties

    XLogP3-AA
    4.7

    Molecular weight
    212.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    303°C

    Melting point expt.

    • 27.5 °C

    Flash point est.
    147.92 ˚C

  • Synonyms

    • OXACYCLOTETRADECAN-2-ONE
    • cyclotridecanolide
    • 1725-04-8
    • Tridecanolide
    • tridecanolactone
    • 1-OXACYCLOTETRADECAN-2-ONE
    • 13-tridecanolide
    • 1,13-Tridecanolide
    • UNII-Y9JR19NHXS
    • Y9JR19NHXS
    • tridecano-13-lactone
    • Tridecanoic acid, 13-hydroxy-, .mu.-lactone
    • DTXSID9061916
    • SCHEMBL546665
    • DTXCID2035510
    • CHEBI:195942
    • STL560822
    • AKOS000623113
    • Q27294407
    • Tridecanoic acid, 13-hydroxy-, laquo Muraquo -lactone
    • Tridecanoic acid, 13-hydroxy-, laquo muraquo-lactone

  • Applications

    Oxacyclotetradecan-2-one (CAS 1725-04-8) is a 14-membered macrocyclic lactone used in perfumery for clean musky, ambrette-like, creamy lactonic notes, employed as a GC–MS reference and retention marker for macrocyclic lactones, serving as a scaffold and intermediate in organic synthesis to benchmark macrolactonization or ring-closing strategies and to support structure–odor relationship studies, and applied in materials and supramolecular chemistry as a hydrophobic ring model for encapsulation, self-assembly and host–guest interactions, as well as in drug discovery workflows to probe permeability, membrane interaction and lipophilicity typical of macrocycles.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1238.43
    methanol 1063.33
    isopropanol 1390.49
    water 0.05
    ethyl acetate 2060.62
    n-propanol 1267.81
    acetone 2530.59
    n-butanol 1137.29
    acetonitrile 1438.78
    DMF 2574.37
    toluene 1459.36
    isobutanol 1024.86
    1,4-dioxane 2221.65
    methyl acetate 1340.03
    THF 3884.45
    2-butanone 1883.71
    n-pentanol 783.67
    sec-butanol 1158.55
    n-hexane 577.47
    ethylene glycol 109.37
    NMP 2269.07
    cyclohexane 1041.87
    DMSO 2713.95
    n-butyl acetate 1853.24
    n-octanol 478.05
    chloroform 6160.81
    n-propyl acetate 1618.94
    acetic acid 1242.57
    dichloromethane 5373.34
    cyclohexanone 3658.73
    propylene glycol 280.51
    isopropyl acetate 1466.99
    DMAc 1578.26
    2-ethoxyethanol 840.41
    isopentanol 1079.06
    n-heptane 310.67
    ethyl formate 1115.39
    1,2-dichloroethane 3327.51
    n-hexanol 848.28
    2-methoxyethanol 1403.32
    isobutyl acetate 960.45
    tetrachloromethane 917.81
    n-pentyl acetate 1367.37
    transcutol 3709.56
    n-heptanol 449.69
    ethylbenzene 713.72
    MIBK 1133.08
    2-propoxyethanol 1114.6
    tert-butanol 1475.0
    MTBE 1496.66
    2-butoxyethanol 838.3
    propionic acid 1196.7
    o-xylene 753.39
    formic acid 203.71
    diethyl ether 1886.57
    m-xylene 808.7
    p-xylene 906.48
    chlorobenzene 2037.45
    dimethyl carbonate 467.56
    n-octane 108.89
    formamide 420.07
    cyclopentanone 3702.36
    2-pentanone 1939.93
    anisole 1088.67
    cyclopentyl methyl ether 2133.26
    gamma-butyrolactone 3555.3
    1-methoxy-2-propanol 1272.1
    pyridine 3575.74
    3-pentanone 1347.54
    furfural 2772.17
    n-dodecane 64.86
    diethylene glycol 547.92
    diisopropyl ether 638.09
    tert-amyl alcohol 1183.23
    acetylacetone 1789.66
    n-hexadecane 78.85
    acetophenone 1085.05
    methyl propionate 1304.6
    isopentyl acetate 1445.23
    trichloroethylene 5698.7
    n-nonanol 418.72
    cyclohexanol 1696.3
    benzyl alcohol 840.31
    2-ethylhexanol 653.23
    isooctanol 412.21
    dipropyl ether 1243.28
    1,2-dichlorobenzene 1747.98
    ethyl lactate 461.89
    propylene carbonate 1983.86
    n-methylformamide 1143.1
    2-pentanol 988.43
    n-pentane 392.12
    1-propoxy-2-propanol 1136.89
    1-methoxy-2-propyl acetate 1215.44
    2-(2-methoxypropoxy) propanol 690.82
    mesitylene 524.72
    ε-caprolactone 2712.16
    p-cymene 409.25
    epichlorohydrin 3369.99
    1,1,1-trichloroethane 3118.15
    2-aminoethanol 383.85
    morpholine-4-carbaldehyde 2032.21
    sulfolane 3718.42
    2,2,4-trimethylpentane 134.37
    2-methyltetrahydrofuran 2752.59
    n-hexyl acetate 1461.89
    isooctane 115.79
    2-(2-butoxyethoxy)ethanol 1090.27
    sec-butyl acetate 1036.03
    tert-butyl acetate 1311.25
    decalin 317.78
    glycerin 339.96
    diglyme 2070.39
    acrylic acid 894.63
    isopropyl myristate 509.84
    n-butyric acid 2173.06
    acetyl acetate 1164.76
    di(2-ethylhexyl) phthalate 384.58
    ethyl propionate 1256.54
    nitromethane 1949.51
    1,2-diethoxyethane 1624.65
    benzonitrile 1588.02
    trioctyl phosphate 293.41
    1-bromopropane 2256.58
    gamma-valerolactone 3608.92
    n-decanol 288.48
    triethyl phosphate 457.05
    4-methyl-2-pentanol 554.38
    propionitrile 1545.69
    vinylene carbonate 1678.4
    1,1,2-trichlorotrifluoroethane 2070.13
    DMS 888.12
    cumene 435.09
    2-octanol 389.8
    2-hexanone 1390.25
    octyl acetate 604.56
    limonene 668.88
    1,2-dimethoxyethane 1854.18
    ethyl orthosilicate 449.43
    tributyl phosphate 410.28
    diacetone alcohol 1079.58
    N,N-dimethylaniline 685.58
    acrylonitrile 1757.84
    aniline 1455.3
    1,3-propanediol 700.97
    bromobenzene 2491.41
    dibromomethane 3907.09
    1,1,2,2-tetrachloroethane 4822.29
    2-methyl-cyclohexyl acetate 811.51
    tetrabutyl urea 513.04
    diisobutyl methanol 443.34
    2-phenylethanol 694.52
    styrene 1050.19
    dioctyl adipate 723.64
    dimethyl sulfate 756.43
    ethyl butyrate 1243.03
    methyl lactate 516.77
    butyl lactate 803.27
    diethyl carbonate 721.37
    propanediol butyl ether 749.7
    triethyl orthoformate 791.66
    p-tert-butyltoluene 383.07
    methyl 4-tert-butylbenzoate 822.65
    morpholine 2834.14
    tert-butylamine 1068.01
    n-dodecanol 217.39
    dimethoxymethane 1279.19
    ethylene carbonate 1591.98
    cyrene 587.18
    2-ethoxyethyl acetate 1282.84
    2-ethylhexyl acetate 1163.65
    1,2,4-trichlorobenzene 1857.47
    4-methylpyridine 2984.68
    dibutyl ether 1181.74
    2,6-dimethyl-4-heptanol 443.34
    DEF 2022.16
    dimethyl isosorbide 1183.13
    tetrachloroethylene 3231.21
    eugenol 675.41
    triacetin 1125.8
    span 80 791.92
    1,4-butanediol 262.86
    1,1-dichloroethane 3462.84
    2-methyl-1-pentanol 697.5
    methyl formate 736.31
    2-methyl-1-butanol 963.73
    n-decane 132.09
    butyronitrile 1759.51
    3,7-dimethyl-1-octanol 546.59
    1-chlorooctane 546.64
    1-chlorotetradecane 184.99
    n-nonane 143.32
    undecane 86.29
    tert-butylcyclohexane 237.19
    cyclooctane 296.64
    cyclopentanol 1679.18
    tetrahydropyran 3394.66
    tert-amyl methyl ether 1076.2
    2,5,8-trioxanonane 1201.33
    1-hexene 1306.18
    2-isopropoxyethanol 715.0
    2,2,2-trifluoroethanol 376.34
    methyl butyrate 1844.21

    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
Angelica root (Finland) 1 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 0.45%
Angelica (norvegica) tap root 8015-64-3 Angelica archangelica L. var. norvegica, fam. Apiaceae (Umbelliferae) 0.74%
Angelica (norvegica) lateral root 8015-64-3 Angelica archangelica L. var. norvegica, fam. Apiaceae (Umbelliferae) 0.68%
Angelica (sativa) tap root 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 0.7%
Angelica (sativa) lateral root 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 0.47%
Angelica root (Finland) 2 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 2.0%
Angelica root (Finland) 4 8015-64-3 Angelica archangelica L. var. archangelica, fam. Apiaceae (Umbelliferae) 2.1%
Angelica root (Finland) 3 8015-64-3 Angelica archangelica L. var. sativa, fam. Apiaceae (Umbelliferae) 2.4%
Angelica root (France) 1 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 0.56%
Angelica root (Brazil) 1a hydrodistilled 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 0.5%
Angelica root (Brazil) 1b CO2 extract 8015-64-3 Angelica archangelica L., fam. Apiaceae (Umbelliferae) 1.6%