Azacycloheptadecane

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  • Identifiers

    CAS number
    295-98-7

    Molecular formula
    C16H33N

    SMILES
    C1CCCCCCCCNCCCCCCC1

  • Odor profile

    Fragrance
    Musk 68.68%
    Animal 65.48%
    Amber 49.59%
    Woody 48.23%
    Dry 43.89%
    Sweet 43.34%
    Powdery 36.71%
    Clean 31.98%
    Floral 31.09%
    Earthy 28.29%

     

    Flavor
    Animal 46.83%
    Ammoniacal 32.45%
    Alkaline 25.8%
    Sweet 24.97%
    Shrimp 24.05%
    Amine 23.27%
    Floral 22.75%
    Powdery 21.84%
    Egg 21.65%
    Beet 21.29%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.4

    pKa est.
    12.13 (strong base)

    Molecular weight
    239.44 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    360°C

    Flash point

    • 153.21 ˚C est.

  • Synonyms

    • Azacycloheptadecane
    • 295-98-7
    • SCHEMBL3064139
    • DTXSID40627078

  • Applications

    Azacycloheptadecane (CAS 295-98-7) is primarily used as a chemical building block in organic synthesis. It may serve as a macrocyclic amine scaffold and is commonly evaluated as an intermediate for the preparation of heterocyclic compounds and pharmaceutical precursors. In coordination chemistry and catalysis, the ring may act as a ligand precursor for metal complexes, enabling the development of novel catalysts and materials. In polymer and materials science, the compound may be used to access functionalized derivatives and as a specialized amine component in high-performance polymers and coatings. It is also evaluated in medicinal chemistry research as a scaffold for exploring structure-activity relationships.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 78.68
    methanol 51.72
    isopropanol 103.33
    water 0.02
    ethyl acetate 514.67
    n-propanol 135.87
    acetone 337.97
    n-butanol 190.39
    acetonitrile 101.77
    DMF 368.94
    toluene 424.8
    isobutanol 138.71
    1,4-dioxane 601.05
    methyl acetate 275.9
    THF 1791.16
    2-butanone 429.96
    n-pentanol 128.94
    sec-butanol 151.85
    n-hexane 278.65
    ethylene glycol 9.55
    NMP 799.45
    cyclohexane 845.82
    DMSO 430.06
    n-butyl acetate 760.99
    n-octanol 138.46
    chloroform 1397.83
    n-propyl acetate 449.18
    acetic acid 160.56
    dichloromethane 1138.06
    cyclohexanone 1143.27
    propylene glycol 26.42
    isopropyl acetate 441.33
    DMAc 414.93
    2-ethoxyethanol 157.51
    isopentanol 197.57
    n-heptane 581.36
    ethyl formate 218.5
    1,2-dichloroethane 792.52
    n-hexanol 237.48
    2-methoxyethanol 192.03
    isobutyl acetate 344.26
    tetrachloromethane 401.17
    n-pentyl acetate 485.73
    transcutol 744.53
    n-heptanol 153.79
    ethylbenzene 207.31
    MIBK 377.63
    2-propoxyethanol 297.77
    tert-butanol 196.88
    MTBE 408.21
    2-butoxyethanol 246.49
    propionic acid 182.59
    o-xylene 279.96
    formic acid 20.56
    diethyl ether 561.08
    m-xylene 273.64
    p-xylene 275.42
    chlorobenzene 513.52
    dimethyl carbonate 136.12
    n-octane 146.88
    formamide 33.66
    cyclopentanone 1347.36
    2-pentanone 526.27
    anisole 269.65
    cyclopentyl methyl ether 1050.6
    gamma-butyrolactone 1172.37
    1-methoxy-2-propanol 229.17
    pyridine 697.29
    3-pentanone 502.12
    furfural 745.14
    n-dodecane 56.7
    diethylene glycol 109.39
    diisopropyl ether 301.79
    tert-amyl alcohol 211.75
    acetylacetone 499.61
    n-hexadecane 68.74
    acetophenone 304.83
    methyl propionate 364.8
    isopentyl acetate 605.04
    trichloroethylene 1291.84
    n-nonanol 145.91
    cyclohexanol 429.41
    benzyl alcohol 174.63
    2-ethylhexanol 306.95
    isooctanol 159.66
    dipropyl ether 1111.53
    1,2-dichlorobenzene 486.67
    ethyl lactate 167.52
    propylene carbonate 684.37
    n-methylformamide 111.79
    2-pentanol 196.76
    n-pentane 235.16
    1-propoxy-2-propanol 435.49
    1-methoxy-2-propyl acetate 521.17
    2-(2-methoxypropoxy) propanol 220.3
    mesitylene 213.72
    ε-caprolactone 839.04
    p-cymene 264.85
    epichlorohydrin 956.36
    1,1,1-trichloroethane 952.14
    2-aminoethanol 34.87
    morpholine-4-carbaldehyde 522.92
    sulfolane 1398.47
    2,2,4-trimethylpentane 104.09
    2-methyltetrahydrofuran 1169.69
    n-hexyl acetate 455.22
    isooctane 78.79
    2-(2-butoxyethoxy)ethanol 307.26
    sec-butyl acetate 373.61
    tert-butyl acetate 507.91
    decalin 209.45
    glycerin 46.31
    diglyme 730.52
    acrylic acid 132.17
    isopropyl myristate 228.92
    n-butyric acid 452.46
    acetyl acetate 358.85
    di(2-ethylhexyl) phthalate 145.35
    ethyl propionate 426.31
    nitromethane 275.04
    1,2-diethoxyethane 639.75
    benzonitrile 276.36
    trioctyl phosphate 130.34
    1-bromopropane 688.71
    gamma-valerolactone 1008.2
    n-decanol 109.94
    triethyl phosphate 319.52
    4-methyl-2-pentanol 142.14
    propionitrile 209.06
    vinylene carbonate 454.19
    1,1,2-trichlorotrifluoroethane 574.8
    DMS 255.02
    cumene 161.37
    2-octanol 125.16
    2-hexanone 403.39
    octyl acetate 232.1
    limonene 505.02
    1,2-dimethoxyethane 500.99
    ethyl orthosilicate 327.73
    tributyl phosphate 176.94
    diacetone alcohol 351.26
    N,N-dimethylaniline 227.56
    acrylonitrile 184.94
    aniline 326.86
    1,3-propanediol 77.86
    bromobenzene 658.22
    dibromomethane 867.95
    1,1,2,2-tetrachloroethane 1282.14
    2-methyl-cyclohexyl acetate 451.16
    tetrabutyl urea 221.09
    diisobutyl methanol 278.62
    2-phenylethanol 206.48
    styrene 258.09
    dioctyl adipate 282.5
    dimethyl sulfate 259.43
    ethyl butyrate 731.79
    methyl lactate 139.61
    butyl lactate 278.07
    diethyl carbonate 379.18
    propanediol butyl ether 149.5
    triethyl orthoformate 590.08
    p-tert-butyltoluene 259.14
    methyl 4-tert-butylbenzoate 325.0
    morpholine 677.06
    tert-butylamine 184.89
    n-dodecanol 91.88
    dimethoxymethane 343.83
    ethylene carbonate 482.65
    cyrene 242.02
    2-ethoxyethyl acetate 412.15
    2-ethylhexyl acetate 571.44
    1,2,4-trichlorobenzene 538.04
    4-methylpyridine 594.3
    dibutyl ether 610.53
    2,6-dimethyl-4-heptanol 278.62
    DEF 596.9
    dimethyl isosorbide 566.81
    tetrachloroethylene 864.4
    eugenol 209.36
    triacetin 393.4
    span 80 264.24
    1,4-butanediol 30.77
    1,1-dichloroethane 707.38
    2-methyl-1-pentanol 145.89
    methyl formate 105.56
    2-methyl-1-butanol 183.0
    n-decane 122.9
    butyronitrile 279.98
    3,7-dimethyl-1-octanol 190.16
    1-chlorooctane 280.97
    1-chlorotetradecane 112.62
    n-nonane 140.44
    undecane 78.11
    tert-butylcyclohexane 159.71
    cyclooctane 316.01
    cyclopentanol 401.02
    tetrahydropyran 1214.04
    tert-amyl methyl ether 412.8
    2,5,8-trioxanonane 431.32
    1-hexene 379.16
    2-isopropoxyethanol 160.35
    2,2,2-trifluoroethanol 75.65
    methyl butyrate 525.2

    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