1,4-Dioxacycloheptadecane-5,17-dione

Overview IFRA Request a quote

  • Identifiers

    CAS number
    105-95-3

    Molecular formula
    C15H26O4

    SMILES
    C1CCCCCC(=O)OCCOC(=O)CCCCC1

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Sweet 78.34%
    Musk 77.08%
    Waxy 57.79%
    Fatty 57.21%
    Animal 55.23%
    Powdery 50.32%
    Oily 48.99%
    Floral 46.57%
    Creamy 46.02%
    Coconut 45.51%

    Scent© AI

  • Properties

    XLogP3-AA
    4.2

    Molecular weight
    270.36 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 0 - 7 °C

    Boiling point

    • 138.00 to 142.00 °C. @ 1.00 mm Hg

    Flash point est.
    176.05 ˚C

    Solubility expt.

    • insoluble in water; soluble in alcohol
    • 1 mL in 1 mL alcohol (in ethanol)

  • Synonyms

    • Ethylene brassylate
    • 1,4-DIOXACYCLOHEPTADECANE-5,17-DIONE
    • 105-95-3
    • Astratone
    • Musk T
    • Ethylene undecane dicarboxylate
    • Emeressence 1150
    • Ethyl brassylate
    • Tridecanedioic acid, cyclic ethylene ester
    • FEMA No. 3543
    • CCRIS 9097
    • Ethylene Glycol Brassylate
    • EINECS 203-347-8
    • 9A87HC7ROD
    • MFCD00046977
    • NSC 46155
    • Ethylene glycol, cyclic tridecanedioate
    • BRN 0212344
    • DTXSID1044774
    • Ethylene glycol brassylate, cyclic diester
    • AI3-24589
    • Cyclo-1,13-ethylenedioxytridecan-1,13-dione
    • 1,1'-Undecanedicarboxylic acid, ester with ethylene glycol
    • NSC-46155
    • DTXCID9024774
    • ETHYLENE BRASSYLATE [FCC]
    • EC 203-347-8
    • ETHYLENE BRASSYLATE [FHFI]
    • 4-19-00-01936 (Beilstein Handbook Reference)
    • Ethylene Tridecanedioate
    • UNII-9A87HC7ROD
    • Brassylic Acid Ethylene Ester
    • Astra-tone
    • 1,17-dione
    • ETHYLENE BRASYLATE
    • Oprea1_321002
    • Oprea1_440108
    • SCHEMBL291354
    • 1, ester with ethylene glycol
    • ethylene 1,13-tridecanedioate
    • WLN: T-17-AVO EOVTJ
    • CHEMBL2059298
    • CHEBI:168721
    • ETHYLENE BRASSYLATE [INCI]
    • Ethylene brassylate, >=95%, FG
    • Tox21_300971
    • STL560820
    • AKOS000623114
    • Musk NN 10 microg/mL in Cyclohexane
    • CS-W010100
    • HY-W009384
    • 1,4-Dioxa-5,17-cyclo-heptadecandione
    • Ethylene brassylate, analytical standard
    • NCGC00248236-01
    • NCGC00254874-01
    • AS-62929
    • CAS-105-95-3
    • SY052237
    • DB-040666
    • E0344
    • NS00010298
    • D77704
    • Tridecanedioic acid, cyclic ethylene ester (8CI)
    • Q21099110
    • 1,11-Undecanedicarboxylic acid, ester with ethylene glycol
    • 203-347-8

  • Applications

    Ethylene brassylate (CAS 105-95-3) is a macrocyclic musk ester prized by the fragrance industry for its soft, long-lasting scent and outstanding stability; it is broadly employed as a key note or fixative in fine perfumes, body sprays, shampoos, shower gels, air fresheners, scented candles, fabric mists and household cleaners, and thanks to its excellent compatibility with most solvents, surfactants and polymers it is also used as an aroma core in fragrance microcapsules for detergents, as an odor carrier in functional textiles, as a flavor-enhancing additive in food packaging, as a polymer modifier or eco-friendly plasticizer for polyurethane, 3-D printing resins and bio-based plastics, meeting IFRA safety guidelines and often preferred in formulations that demand a natural-musk profile, high thermal resistance, wide pH tolerance and inherent biodegradability.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 53.09
    methanol 67.61
    isopropanol 46.64
    water 0.06
    ethyl acetate 250.72
    n-propanol 47.49
    acetone 298.26
    n-butanol 45.83
    acetonitrile 227.45
    DMF 574.68
    toluene 169.0
    isobutanol 43.5
    1,4-dioxane 265.2
    methyl acetate 223.07
    THF 596.85
    2-butanone 233.43
    n-pentanol 45.67
    sec-butanol 48.38
    n-hexane 13.82
    ethylene glycol 10.34
    NMP 776.8
    cyclohexane 30.05
    DMSO 849.51
    n-butyl acetate 209.1
    n-octanol 33.36
    chloroform 1171.56
    n-propyl acetate 214.91
    acetic acid 240.06
    dichloromethane 1246.26
    cyclohexanone 513.38
    propylene glycol 20.19
    isopropyl acetate 189.22
    DMAc 658.77
    2-ethoxyethanol 126.9
    isopentanol 60.29
    n-heptane 8.84
    ethyl formate 156.0
    1,2-dichloroethane 720.83
    n-hexanol 45.07
    2-methoxyethanol 167.5
    isobutyl acetate 122.84
    tetrachloromethane 118.72
    n-pentyl acetate 170.65
    transcutol 622.85
    n-heptanol 29.6
    ethylbenzene 90.22
    MIBK 151.91
    2-propoxyethanol 128.74
    tert-butanol 88.42
    MTBE 119.22
    2-butoxyethanol 99.29
    propionic acid 150.88
    o-xylene 115.89
    formic acid 66.74
    diethyl ether 118.43
    m-xylene 105.67
    p-xylene 120.81
    chlorobenzene 337.66
    dimethyl carbonate 121.53
    n-octane 4.34
    formamide 157.02
    cyclopentanone 718.8
    2-pentanone 212.7
    anisole 180.91
    cyclopentyl methyl ether 253.19
    gamma-butyrolactone 900.29
    1-methoxy-2-propanol 144.96
    pyridine 498.95
    3-pentanone 190.78
    furfural 738.25
    n-dodecane 3.99
    diethylene glycol 86.31
    diisopropyl ether 47.32
    tert-amyl alcohol 83.11
    acetylacetone 412.97
    n-hexadecane 4.85
    acetophenone 239.07
    methyl propionate 209.8
    isopentyl acetate 182.79
    trichloroethylene 1350.16
    n-nonanol 34.33
    cyclohexanol 97.67
    benzyl alcohol 136.06
    2-ethylhexanol 46.23
    isooctanol 30.77
    dipropyl ether 88.02
    1,2-dichlorobenzene 360.32
    ethyl lactate 92.01
    propylene carbonate 468.44
    n-methylformamide 214.02
    2-pentanol 40.93
    n-pentane 8.6
    1-propoxy-2-propanol 112.93
    1-methoxy-2-propyl acetate 209.66
    2-(2-methoxypropoxy) propanol 145.97
    mesitylene 70.33
    ε-caprolactone 448.17
    p-cymene 57.05
    epichlorohydrin 783.12
    1,1,1-trichloroethane 556.08
    2-aminoethanol 30.66
    morpholine-4-carbaldehyde 524.45
    sulfolane 1205.41
    2,2,4-trimethylpentane 9.0
    2-methyltetrahydrofuran 362.15
    n-hexyl acetate 176.83
    isooctane 5.96
    2-(2-butoxyethoxy)ethanol 178.37
    sec-butyl acetate 138.47
    tert-butyl acetate 205.96
    decalin 21.93
    glycerin 49.57
    diglyme 412.07
    acrylic acid 171.53
    isopropyl myristate 65.71
    n-butyric acid 214.32
    acetyl acetate 272.84
    di(2-ethylhexyl) phthalate 77.61
    ethyl propionate 186.91
    nitromethane 598.43
    1,2-diethoxyethane 200.67
    benzonitrile 255.77
    trioctyl phosphate 45.29
    1-bromopropane 263.65
    gamma-valerolactone 773.99
    n-decanol 24.32
    triethyl phosphate 108.85
    4-methyl-2-pentanol 35.65
    propionitrile 151.52
    vinylene carbonate 421.93
    1,1,2-trichlorotrifluoroethane 519.6
    DMS 212.77
    cumene 59.24
    2-octanol 24.93
    2-hexanone 164.73
    octyl acetate 84.15
    limonene 78.73
    1,2-dimethoxyethane 308.64
    ethyl orthosilicate 91.86
    tributyl phosphate 75.64
    diacetone alcohol 186.58
    N,N-dimethylaniline 125.14
    acrylonitrile 258.78
    aniline 170.06
    1,3-propanediol 53.22
    bromobenzene 410.6
    dibromomethane 718.39
    1,1,2,2-tetrachloroethane 1052.6
    2-methyl-cyclohexyl acetate 146.46
    tetrabutyl urea 100.29
    diisobutyl methanol 37.52
    2-phenylethanol 105.84
    styrene 131.74
    dioctyl adipate 129.66
    dimethyl sulfate 291.11
    ethyl butyrate 177.19
    methyl lactate 108.63
    butyl lactate 120.69
    diethyl carbonate 138.13
    propanediol butyl ether 95.35
    triethyl orthoformate 124.91
    p-tert-butyltoluene 52.96
    methyl 4-tert-butylbenzoate 181.88
    morpholine 310.77
    tert-butylamine 56.61
    n-dodecanol 18.88
    dimethoxymethane 224.62
    ethylene carbonate 336.02
    cyrene 170.33
    2-ethoxyethyl acetate 249.5
    2-ethylhexyl acetate 151.45
    1,2,4-trichlorobenzene 418.17
    4-methylpyridine 450.52
    dibutyl ether 82.76
    2,6-dimethyl-4-heptanol 37.52
    DEF 305.4
    dimethyl isosorbide 322.78
    tetrachloroethylene 626.4
    eugenol 150.92
    triacetin 250.84
    span 80 125.36
    1,4-butanediol 26.05
    1,1-dichloroethane 535.05
    2-methyl-1-pentanol 57.71
    methyl formate 168.52
    2-methyl-1-butanol 52.81
    n-decane 6.9
    butyronitrile 137.38
    3,7-dimethyl-1-octanol 45.24
    1-chlorooctane 42.54
    1-chlorotetradecane 16.8
    n-nonane 6.05
    undecane 4.99
    tert-butylcyclohexane 15.6
    cyclooctane 10.07
    cyclopentanol 125.11
    tetrahydropyran 259.32
    tert-amyl methyl ether 105.12
    2,5,8-trioxanonane 275.65
    1-hexene 52.92
    2-isopropoxyethanol 99.63
    2,2,2-trifluoroethanol 127.33
    methyl butyrate 259.47

    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