1,3-Dioxacyclotridecan-2-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    67990-00-5

    Molecular formula
    C11H20O3

    SMILES
    C1CCCCCOC(=O)OCCCC1

  • Odor profile

    Fragrance
    Sweet 72.78%
    Musk 64.84%
    Fruity 57.52%
    Animal 49.36%
    Woody 46.79%
    Waxy 43.14%
    Floral 41.68%
    Powdery 40.95%
    Amber 40.82%
    Oily 38.74%

     

    Flavor
    Fruity 62.86%
    Animal 31.33%
    Sweet 29.97%
    Fruit 28.18%
    Coconut 26.57%
    Natural 26.54%
    Powdery 25.42%
    Creamy 25.39%
    Musk 23.58%
    Cheese 23.51%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    11.6 (strong base)

    Molecular weight
    200.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    376°C

    Flash point

    • 142.26 ˚C est.

  • Synonyms

    • 1,3-Dioxacyclotridecan-2-one
    • 67990-00-5
    • EINECS 268-024-6
    • DTXSID1070939
    • 2-decylene carbonate
    • B9749BP6BL
    • SCHEMBL4338998
    • DTXCID1045370
    • BNKAOFCGRFIIHY-UHFFFAOYSA-N
    • NS00053920
    • 268-024-6

  • Applications

    1,3-Dioxacyclotridecan-2-one (CAS 67990-00-5) is a large cyclic carbonate commonly considered a specialty solvent and chemical intermediate. In industry, it can serve as a monomer or co-monomer for carbonate-containing polymers and related materials; as a solvent and processing aid in coatings, inks, and adhesives; as a reactive plasticizer or processing modifier in polymer and coating formulations; as a precursor for other cyclic carbonate polymers and plastics; and in some cases as a component in industrial cleaning formulations, depending on regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 621.52
    methanol 574.13
    isopropanol 597.5
    water 0.11
    ethyl acetate 604.2
    n-propanol 574.38
    acetone 905.9
    n-butanol 496.6
    acetonitrile 592.22
    DMF 1556.06
    toluene 678.8
    isobutanol 439.6
    1,4-dioxane 876.67
    methyl acetate 540.34
    THF 1719.15
    2-butanone 752.01
    n-pentanol 358.49
    sec-butanol 512.71
    n-hexane 139.59
    ethylene glycol 81.86
    NMP 1633.0
    cyclohexane 328.44
    DMSO 1739.87
    n-butyl acetate 641.18
    n-octanol 260.21
    chloroform 3470.27
    n-propyl acetate 531.81
    acetic acid 727.06
    dichloromethane 3207.88
    cyclohexanone 1659.31
    propylene glycol 170.3
    isopropyl acetate 421.68
    DMAc 927.1
    2-ethoxyethanol 373.28
    isopentanol 429.24
    n-heptane 88.75
    ethyl formate 555.54
    1,2-dichloroethane 1824.07
    n-hexanol 343.05
    2-methoxyethanol 619.4
    isobutyl acetate 316.5
    tetrachloromethane 406.03
    n-pentyl acetate 562.79
    transcutol 1184.2
    n-heptanol 225.8
    ethylbenzene 327.71
    MIBK 395.84
    2-propoxyethanol 453.24
    tert-butanol 563.34
    MTBE 409.36
    2-butoxyethanol 400.07
    propionic acid 677.82
    o-xylene 368.06
    formic acid 162.61
    diethyl ether 493.74
    m-xylene 385.3
    p-xylene 437.92
    chlorobenzene 1134.91
    dimethyl carbonate 245.72
    n-octane 45.76
    formamide 352.95
    cyclopentanone 1873.04
    2-pentanone 669.45
    anisole 490.29
    cyclopentyl methyl ether 826.91
    gamma-butyrolactone 2162.17
    1-methoxy-2-propanol 522.35
    pyridine 1806.14
    3-pentanone 500.39
    furfural 1756.49
    n-dodecane 34.91
    diethylene glycol 251.93
    diisopropyl ether 168.51
    tert-amyl alcohol 452.17
    acetylacetone 664.38
    n-hexadecane 41.4
    acetophenone 580.36
    methyl propionate 539.74
    isopentyl acetate 513.46
    trichloroethylene 3458.2
    n-nonanol 227.13
    cyclohexanol 736.94
    benzyl alcohol 430.45
    2-ethylhexanol 244.42
    isooctanol 187.24
    dipropyl ether 343.76
    1,2-dichlorobenzene 959.88
    ethyl lactate 227.58
    propylene carbonate 1184.53
    n-methylformamide 786.23
    2-pentanol 392.48
    n-pentane 125.15
    1-propoxy-2-propanol 427.36
    1-methoxy-2-propyl acetate 431.1
    2-(2-methoxypropoxy) propanol 308.45
    mesitylene 238.07
    ε-caprolactone 1270.07
    p-cymene 199.62
    epichlorohydrin 1849.26
    1,1,1-trichloroethane 1363.13
    2-aminoethanol 251.32
    morpholine-4-carbaldehyde 1083.44
    sulfolane 2552.71
    2,2,4-trimethylpentane 51.95
    2-methyltetrahydrofuran 1207.22
    n-hexyl acetate 661.41
    isooctane 41.52
    2-(2-butoxyethoxy)ethanol 468.46
    sec-butyl acetate 320.16
    tert-butyl acetate 407.36
    decalin 115.02
    glycerin 199.77
    diglyme 853.33
    acrylic acid 640.34
    isopropyl myristate 228.1
    n-butyric acid 960.86
    acetyl acetate 400.36
    di(2-ethylhexyl) phthalate 214.13
    ethyl propionate 430.88
    nitromethane 1082.06
    1,2-diethoxyethane 472.97
    benzonitrile 855.34
    trioctyl phosphate 165.54
    1-bromopropane 1015.06
    gamma-valerolactone 1804.28
    n-decanol 158.24
    triethyl phosphate 203.97
    4-methyl-2-pentanol 212.86
    propionitrile 651.37
    vinylene carbonate 1104.9
    1,1,2-trichlorotrifluoroethane 1126.35
    DMS 410.06
    cumene 199.96
    2-octanol 197.77
    2-hexanone 493.79
    octyl acetate 294.17
    limonene 293.51
    1,2-dimethoxyethane 716.0
    ethyl orthosilicate 186.7
    tributyl phosphate 209.47
    diacetone alcohol 418.57
    N,N-dimethylaniline 345.92
    acrylonitrile 876.24
    aniline 668.64
    1,3-propanediol 367.63
    bromobenzene 1391.64
    dibromomethane 2249.57
    1,1,2,2-tetrachloroethane 2801.92
    2-methyl-cyclohexyl acetate 364.33
    tetrabutyl urea 285.51
    diisobutyl methanol 166.98
    2-phenylethanol 354.96
    styrene 477.29
    dioctyl adipate 337.78
    dimethyl sulfate 442.12
    ethyl butyrate 455.93
    methyl lactate 276.98
    butyl lactate 385.45
    diethyl carbonate 298.51
    propanediol butyl ether 394.41
    triethyl orthoformate 299.42
    p-tert-butyltoluene 181.52
    methyl 4-tert-butylbenzoate 443.91
    morpholine 1202.4
    tert-butylamine 402.56
    n-dodecanol 118.69
    dimethoxymethane 585.1
    ethylene carbonate 882.42
    cyrene 359.89
    2-ethoxyethyl acetate 518.86
    2-ethylhexyl acetate 428.17
    1,2,4-trichlorobenzene 1100.2
    4-methylpyridine 1501.38
    dibutyl ether 383.99
    2,6-dimethyl-4-heptanol 166.98
    DEF 806.91
    dimethyl isosorbide 593.81
    tetrachloroethylene 1761.88
    eugenol 384.0
    triacetin 495.07
    span 80 391.95
    1,4-butanediol 155.37
    1,1-dichloroethane 1659.52
    2-methyl-1-pentanol 305.33
    methyl formate 519.92
    2-methyl-1-butanol 390.73
    n-decane 60.96
    butyronitrile 707.82
    3,7-dimethyl-1-octanol 245.13
    1-chlorooctane 267.5
    1-chlorotetradecane 95.49
    n-nonane 62.39
    undecane 43.53
    tert-butylcyclohexane 81.17
    cyclooctane 89.13
    cyclopentanol 875.52
    tetrahydropyran 1262.43
    tert-amyl methyl ether 326.21
    2,5,8-trioxanonane 545.29
    1-hexene 399.6
    2-isopropoxyethanol 277.4
    2,2,2-trifluoroethanol 212.09
    methyl butyrate 669.04

    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