7-Oxa-1-thia-4-azaspiro[4.4]nonane, 6-methyl-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    165261-13-2

    Molecular formula
    C7H13NOS

    SMILES
    CC1C2(CCO1)NCCS2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Meaty 57.15%
    Nutty 55.4%
    Roasted 55.38%
    Popcorn 39.48%
    Fishy 39.0%
    Cooked 34.18%
    Sweet 33.2%
    Beefy 26.65%
    Cocoa 24.85%
    Savory 24.26%

     

    Flavor
    Roasted 45.55%
    Sulfurous 34.84%
    Bitter 26.99%
    Chicken 26.53%
    Alkaline 25.79%
    Meaty 24.88%
    Bouillon 24.77%
    Vegetable 24.33%
    Savory 24.22%
    Amine 24.12%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    4.64 (weak acid)

    Molecular weight
    159.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    243°C

    Flash point

    • 101.96 ˚C est.

  • Synonyms

    • 6-methyl-7-oxa-1-thia-4-azaspiro[4.4]Nonane
    • 7-Oxa-1-thia-4-azaspiro[4.4]nonane, 6-methyl-
    • DTXSID80889052
    • 7-Oxa-1-thia-4-azaspiro(4.4)nonane, 6-methyl-
    • 6-Methyl-7-oxa-1-thia-4-azaspiro(4.4)nonane
    • RefChem:546943
    • DTXCID301028321
    • 165261-13-2
    • SCHEMBL6209037
    • AKOS017531409
    • DB-091150
    • 2-methyltetrahydro furan-3-spiro-2'-thiazolidine
    • 165261-13-2

  • Applications

    7-Oxa-1-thia-4-azaspiro[4.4]nonane, 6-methyl- is primarily used as an intermediate in pharmaceutical synthesis, providing a chiral building block for the construction of drug-like heterocycles and N,O,S-containing derivatives; it serves as a rigid spiro scaffold enabling library diversification in medicinal chemistry; it can be used as a starting material to prepare complex heterocycles and diversified derivatives; it may be evaluated as a scaffold for agrochemical lead discovery and related industrial applications, depending on synthetic feasibility and regulatory constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 266.91
    methanol 485.59
    isopropanol 144.09
    water 68.31
    ethyl acetate 292.44
    n-propanol 189.54
    acetone 340.25
    n-butanol 161.04
    acetonitrile 290.48
    DMF 497.52
    toluene 111.27
    isobutanol 119.5
    1,4-dioxane 483.96
    methyl acetate 256.05
    THF 518.97
    2-butanone 214.94
    n-pentanol 93.69
    sec-butanol 100.34
    n-hexane 1.96
    ethylene glycol 191.45
    NMP 432.42
    cyclohexane 12.39
    DMSO 592.93
    n-butyl acetate 154.78
    n-octanol 68.18
    chloroform 875.6
    n-propyl acetate 115.66
    acetic acid 680.7
    dichloromethane 759.24
    cyclohexanone 370.08
    propylene glycol 153.71
    isopropyl acetate 170.85
    DMAc 343.05
    2-ethoxyethanol 279.32
    isopentanol 127.54
    n-heptane 6.39
    ethyl formate 272.41
    1,2-dichloroethane 322.19
    n-hexanol 104.56
    2-methoxyethanol 508.48
    isobutyl acetate 84.72
    tetrachloromethane 122.05
    n-pentyl acetate 116.53
    transcutol 769.14
    n-heptanol 73.69
    ethylbenzene 27.78
    MIBK 118.95
    2-propoxyethanol 289.74
    tert-butanol 128.17
    MTBE 83.88
    2-butoxyethanol 177.3
    propionic acid 269.95
    o-xylene 65.4
    formic acid 653.83
    diethyl ether 110.96
    m-xylene 77.98
    p-xylene 42.16
    chlorobenzene 250.46
    dimethyl carbonate 127.5
    n-octane 3.54
    formamide 638.38
    cyclopentanone 465.27
    2-pentanone 182.51
    anisole 124.68
    cyclopentyl methyl ether 200.57
    gamma-butyrolactone 627.81
    1-methoxy-2-propanol 321.27
    pyridine 412.9
    3-pentanone 135.45
    furfural 697.56
    n-dodecane 4.76
    diethylene glycol 335.2
    diisopropyl ether 37.47
    tert-amyl alcohol 89.74
    acetylacetone 322.03
    n-hexadecane 5.57
    acetophenone 146.21
    methyl propionate 205.07
    isopentyl acetate 126.02
    trichloroethylene 761.8
    n-nonanol 62.62
    cyclohexanol 144.13
    benzyl alcohol 141.32
    2-ethylhexanol 64.35
    isooctanol 60.17
    dipropyl ether 57.49
    1,2-dichlorobenzene 219.36
    ethyl lactate 88.95
    propylene carbonate 334.14
    n-methylformamide 449.81
    2-pentanol 85.18
    n-pentane 5.13
    1-propoxy-2-propanol 183.78
    1-methoxy-2-propyl acetate 236.63
    2-(2-methoxypropoxy) propanol 168.47
    mesitylene 47.33
    ε-caprolactone 334.4
    p-cymene 39.33
    epichlorohydrin 542.54
    1,1,1-trichloroethane 305.96
    2-aminoethanol 250.02
    morpholine-4-carbaldehyde 536.36
    sulfolane 531.03
    2,2,4-trimethylpentane 5.53
    2-methyltetrahydrofuran 283.23
    n-hexyl acetate 126.53
    isooctane 5.01
    2-(2-butoxyethoxy)ethanol 232.76
    sec-butyl acetate 81.11
    tert-butyl acetate 156.25
    decalin 6.99
    glycerin 287.4
    diglyme 436.4
    acrylic acid 324.7
    isopropyl myristate 56.77
    n-butyric acid 354.51
    acetyl acetate 267.34
    di(2-ethylhexyl) phthalate 71.79
    ethyl propionate 95.18
    nitromethane 980.36
    1,2-diethoxyethane 188.55
    benzonitrile 233.77
    trioctyl phosphate 50.13
    1-bromopropane 107.9
    gamma-valerolactone 695.41
    n-decanol 46.72
    triethyl phosphate 68.31
    4-methyl-2-pentanol 64.18
    propionitrile 182.7
    vinylene carbonate 383.75
    1,1,2-trichlorotrifluoroethane 436.23
    DMS 133.29
    cumene 26.39
    2-octanol 45.45
    2-hexanone 88.37
    octyl acetate 72.61
    limonene 55.54
    1,2-dimethoxyethane 270.16
    ethyl orthosilicate 65.57
    tributyl phosphate 63.85
    diacetone alcohol 170.67
    N,N-dimethylaniline 76.55
    acrylonitrile 281.92
    aniline 225.81
    1,3-propanediol 292.26
    bromobenzene 230.06
    dibromomethane 364.64
    1,1,2,2-tetrachloroethane 462.98
    2-methyl-cyclohexyl acetate 97.09
    tetrabutyl urea 73.63
    diisobutyl methanol 44.66
    2-phenylethanol 142.27
    styrene 42.44
    dioctyl adipate 90.72
    dimethyl sulfate 208.21
    ethyl butyrate 110.93
    methyl lactate 146.97
    butyl lactate 99.63
    diethyl carbonate 87.36
    propanediol butyl ether 160.15
    triethyl orthoformate 97.03
    p-tert-butyltoluene 38.74
    methyl 4-tert-butylbenzoate 140.99
    morpholine 453.76
    tert-butylamine 71.01
    n-dodecanol 35.61
    dimethoxymethane 307.57
    ethylene carbonate 307.34
    cyrene 183.98
    2-ethoxyethyl acetate 204.59
    2-ethylhexyl acetate 99.6
    1,2,4-trichlorobenzene 269.94
    4-methylpyridine 318.72
    dibutyl ether 57.51
    2,6-dimethyl-4-heptanol 44.66
    DEF 216.73
    dimethyl isosorbide 257.85
    tetrachloroethylene 342.35
    eugenol 140.9
    triacetin 180.62
    span 80 141.87
    1,4-butanediol 126.96
    1,1-dichloroethane 294.47
    2-methyl-1-pentanol 78.06
    methyl formate 377.36
    2-methyl-1-butanol 108.4
    n-decane 7.43
    butyronitrile 181.4
    3,7-dimethyl-1-octanol 65.77
    1-chlorooctane 38.34
    1-chlorotetradecane 17.0
    n-nonane 5.96
    undecane 5.76
    tert-butylcyclohexane 6.31
    cyclooctane 5.25
    cyclopentanol 181.79
    tetrahydropyran 262.92
    tert-amyl methyl ether 68.89
    2,5,8-trioxanonane 322.6
    1-hexene 10.65
    2-isopropoxyethanol 167.46
    2,2,2-trifluoroethanol 381.7
    methyl butyrate 122.14

    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