7-Oxa-3,20-diazadispiro[5.1.11.2]heneicosane-20-propanoic acid, 2,2,4,4-tetramethyl-21-oxo-, dodecyl ester

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  • Identifiers

    CAS number
    85099-51-0

    Molecular formula
    C37H68N2O4

    SMILES
    CCCCCCCCCCCCOC(=O)CCN1C(=O)C2(CC(NC(C2)(C)C)(C)C)OC13CCCCCCCCCCC3

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 42.63%
    Woody 39.46%
    Jasmin 34.59%
    Fresh 33.51%
    Herbal 31.35%
    Lactonic 29.74%
    Sweet 28.86%
    Animal 28.28%
    Oily 27.09%
    Amber 26.47%

     

    Flavor
    Green 31.05%
    Waxy 30.45%
    Fatty 28.57%
    Fruity 27.83%
    Oily 27.34%
    Mild 26.85%
    Herbal 26.53%
    Earthy 24.87%
    Fresh 22.06%
    Musty 21.81%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    10.9

    pKa est.
    6.09 (neutral)

    Molecular weight
    604.9 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    684°C

    Flash point

    • 184.03 ˚C est.

  • Synonyms

    • 85099-51-0
    • 7-Oxa-3,20-diazadispiro(5.1.11.2)heneicosane-20-propanoic acid, 2,2,4,4-tetramethyl-21-oxo-, dodecyl ester
    • DTXSID5074634
    • 7-Oxa-3,20-diazadispiro[5.1.11.2]heneicosane-20-propanoic acid, 2,2,4,4-tetramethyl-21-oxo-, dodecyl ester
    • RefChem:546957
    • DTXCID1048465
    • 7-Oxa-3,20-diazadispiro5.1.11.2heneicosane-20-propanoic acid, 2,2,4,4-tetramethyl-21-oxo-, dodecyl ester
    • SCHEMBL2167095
    • NS00020355
    • 20-(3-Dodecyloxy-3-oxopropyl)-2,2,4,4-tetramethyl-7-oxa-3,20-diazadispiro[5.1.11.2]heneicosane-21-one
    • Dodecyl 3-(2,2,4,4-tetramethyl-21-oxo-7-oxa-3,20-diazadispiro[5.1.11~8~.2~6~]henicosan-20-yl)propanoate
    • 85099-51-0

  • Applications

    7-Oxa-3,20-diazadispiro[5.1.11.2]heneicosane-20-propanoic acid, 2,2,4,4-tetramethyl-21-oxo-, dodecyl ester (CAS 85099-51-0) is primarily considered as a specialized building block in organic synthesis, used as an intermediate for pharmaceutical, agrochemical, and polymer chemistries. In industrial applications, it may serve as a plasticizer or processing aid for polymers and coatings, helping modify flexibility and thermal performance. In cosmetics and personal care, the dodecyl ester moiety can contribute as a lipophilic component, potentially functioning as an emollient or precursor for surfactant formulations. It is also evaluated for use in cleaning formulations as a solubilizing or carrier component for actives, and in materials science as a niche additive in coatings and adhesives, with actual use governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 315.44
    methanol 286.76
    isopropanol 208.8
    water 7.51
    ethyl acetate 867.92
    n-propanol 408.65
    acetone 578.65
    n-butanol 356.64
    acetonitrile 227.51
    DMF 961.04
    toluene 527.77
    isobutanol 307.82
    1,4-dioxane 495.14
    methyl acetate 700.83
    THF 1280.22
    2-butanone 826.86
    n-pentanol 266.04
    sec-butanol 345.91
    n-hexane 33.41
    ethylene glycol 62.86
    NMP 3211.74
    cyclohexane 51.58
    DMSO 518.77
    n-butyl acetate 451.74
    n-octanol 132.49
    chloroform 1713.88
    n-propyl acetate 513.95
    acetic acid 1343.28
    dichloromethane 1485.99
    cyclohexanone 1437.83
    propylene glycol 163.46
    isopropyl acetate 612.33
    DMAc 2022.76
    2-ethoxyethanol 396.65
    isopentanol 260.52
    n-heptane 21.96
    ethyl formate 461.2
    1,2-dichloroethane 837.38
    n-hexanol 193.31
    2-methoxyethanol 517.72
    isobutyl acetate 349.53
    tetrachloromethane 349.43
    n-pentyl acetate 642.54
    transcutol 690.42
    n-heptanol 162.67
    ethylbenzene 169.22
    MIBK 398.2
    2-propoxyethanol 418.31
    tert-butanol 158.42
    MTBE 255.62
    2-butoxyethanol 430.71
    propionic acid 916.24
    o-xylene 296.14
    formic acid 495.27
    diethyl ether 317.24
    m-xylene 311.83
    p-xylene 217.32
    chlorobenzene 681.64
    dimethyl carbonate 561.89
    n-octane 10.41
    formamide 515.9
    cyclopentanone 1674.94
    2-pentanone 733.46
    anisole 248.59
    cyclopentyl methyl ether 879.28
    gamma-butyrolactone 2342.72
    1-methoxy-2-propanol 518.67
    pyridine 960.4
    3-pentanone 711.06
    furfural 1367.9
    n-dodecane 6.09
    diethylene glycol 202.46
    diisopropyl ether 107.61
    tert-amyl alcohol 290.14
    acetylacetone 814.71
    n-hexadecane 7.09
    acetophenone 459.69
    methyl propionate 961.06
    isopentyl acetate 381.23
    trichloroethylene 2086.05
    n-nonanol 129.7
    cyclohexanol 535.63
    benzyl alcohol 314.32
    2-ethylhexanol 133.23
    isooctanol 136.17
    dipropyl ether 170.42
    1,2-dichlorobenzene 602.41
    ethyl lactate 316.48
    propylene carbonate 1396.1
    n-methylformamide 680.87
    2-pentanol 272.48
    n-pentane 39.96
    1-propoxy-2-propanol 339.32
    1-methoxy-2-propyl acetate 608.31
    2-(2-methoxypropoxy) propanol 283.16
    mesitylene 144.24
    ε-caprolactone 1786.12
    p-cymene 95.36
    epichlorohydrin 1577.98
    1,1,1-trichloroethane 976.27
    2-aminoethanol 206.2
    morpholine-4-carbaldehyde 1487.08
    sulfolane 2362.47
    2,2,4-trimethylpentane 29.15
    2-methyltetrahydrofuran 1198.74
    n-hexyl acetate 582.42
    isooctane 11.34
    2-(2-butoxyethoxy)ethanol 341.39
    sec-butyl acetate 427.65
    tert-butyl acetate 512.57
    decalin 31.14
    glycerin 248.03
    diglyme 625.13
    acrylic acid 874.08
    isopropyl myristate 125.51
    n-butyric acid 1118.43
    acetyl acetate 726.82
    di(2-ethylhexyl) phthalate 204.09
    ethyl propionate 532.44
    nitromethane 1373.23
    1,2-diethoxyethane 272.6
    benzonitrile 356.35
    trioctyl phosphate 137.17
    1-bromopropane 508.51
    gamma-valerolactone 2238.49
    n-decanol 76.04
    triethyl phosphate 227.62
    4-methyl-2-pentanol 138.72
    propionitrile 278.69
    vinylene carbonate 1213.28
    1,1,2-trichlorotrifluoroethane 1371.53
    DMS 556.45
    cumene 104.58
    2-octanol 117.29
    2-hexanone 411.33
    octyl acetate 219.44
    limonene 147.37
    1,2-dimethoxyethane 370.67
    ethyl orthosilicate 197.6
    tributyl phosphate 169.01
    diacetone alcohol 484.62
    N,N-dimethylaniline 209.8
    acrylonitrile 351.56
    aniline 537.72
    1,3-propanediol 302.59
    bromobenzene 703.55
    dibromomethane 966.87
    1,1,2,2-tetrachloroethane 1509.88
    2-methyl-cyclohexyl acetate 317.96
    tetrabutyl urea 208.34
    diisobutyl methanol 59.61
    2-phenylethanol 258.44
    styrene 198.4
    dioctyl adipate 239.91
    dimethyl sulfate 1036.99
    ethyl butyrate 369.94
    methyl lactate 571.35
    butyl lactate 464.73
    diethyl carbonate 248.38
    propanediol butyl ether 318.81
    triethyl orthoformate 263.28
    p-tert-butyltoluene 87.69
    methyl 4-tert-butylbenzoate 486.07
    morpholine 855.25
    tert-butylamine 94.16
    n-dodecanol 47.47
    dimethoxymethane 571.3
    ethylene carbonate 1028.98
    cyrene 484.84
    2-ethoxyethyl acetate 833.12
    2-ethylhexyl acetate 352.43
    1,2,4-trichlorobenzene 871.87
    4-methylpyridine 1006.16
    dibutyl ether 130.76
    2,6-dimethyl-4-heptanol 59.61
    DEF 1010.07
    dimethyl isosorbide 528.91
    tetrachloroethylene 1015.91
    eugenol 347.99
    triacetin 726.9
    span 80 311.26
    1,4-butanediol 139.31
    1,1-dichloroethane 876.29
    2-methyl-1-pentanol 246.04
    methyl formate 499.33
    2-methyl-1-butanol 366.4
    n-decane 14.18
    butyronitrile 282.34
    3,7-dimethyl-1-octanol 109.51
    1-chlorooctane 99.63
    1-chlorotetradecane 26.29
    n-nonane 13.16
    undecane 8.63
    tert-butylcyclohexane 23.62
    cyclooctane 21.8
    cyclopentanol 630.57
    tetrahydropyran 742.05
    tert-amyl methyl ether 346.29
    2,5,8-trioxanonane 341.53
    1-hexene 125.19
    2-isopropoxyethanol 310.97
    2,2,2-trifluoroethanol 802.24
    methyl butyrate 628.14

    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