3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro(4.5)dec-3-en-4-yl ethyl carbonate

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  • Identifiers

    CAS number
    203313-25-1

    Molecular formula
    C21H27NO5

    SMILES
    CCOC(=O)OC1=C(C(=O)NC12CCC(CC2)OC)C3=C(C=CC(=C3)C)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 45.3%
    Odorless 34.04%
    Fruity 31.23%
    Sweet 29.24%
    Grape 28.78%
    Fresh 27.58%
    Green 24.67%
    Herbal 23.96%
    Neroli 23.31%
    Powdery 21.92%

     

    Flavor
    Bitter 77.23%
    Odorless 22.09%
    Bland 20.78%
    Parsley 20.68%
    Lovage 20.63%
    Cedarleaf 20.41%
    Ethyl benzoate 19.85%
    Ripe apricot 19.84%
    Heather 19.78%
    Broom 19.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    6.15 (neutral)

    Molecular weight
    373.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    732°C

    Flash point

    • 182.45 ˚C est.

  • Synonyms

    • 3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl carbonate
    • DTXSID40861495
    • 3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro(4.5)dec-3-en-4-yl ethyl carbonate
    • RefChem:1066441
    • DTXCID40209893
    • Spirotetramat
    • 203313-25-1
    • Movento
    • Ultor
    • (5s,8s)-3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl carbonate
    • Carbonic acid, cis-3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl ester
    • Spirotetramat [ISO]
    • 4G7KR034OX
    • DTXSID7044342
    • MFCD23135898
    • [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] Ethyl Carbonate
    • cis-3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl carbonate
    • 382608-10-8
    • cis-4-(ethoxycarbonyloxy)-8-methoxy-3-(2,5-xylyl)-1-azaspiro(4.5)dec-3-en-2-one
    • UNII-4G7KR034OX
    • BYI 1330
    • CIS-3-(2,5-DIMETHYLPHENYL)-8-METHOXY-2-OXO-1-AZASPIRO(4.5)DEC-3-EN-4-YL ETHYL CARBONATE
    • ETHYL (5S,8S)-3-(2,5-DIMETHYLPHENYL)-8-METHOXY-2-OXO-1-AZASPIRO[4.5]DEC-3-EN-4-YL CARBONATE
    • Spirotetramat (>90%)
    • SPIROTETRAMAT [MI]
    • SCHEMBL26389
    • SCHEMBL337030
    • orb2283103
    • orb3025084
    • CHEMBL2229173
    • SCHEMBL12022413
    • SCHEMBL27350845
    • CHEBI:81975
    • CLSVJBIHYWPGQY-UHFFFAOYSA-N
    • DTXCID701436205
    • BYI 8330
    • MSK20364
    • Tox21_302430
    • EBC-54258
    • AKOS016007693
    • NCGC00255843-01
    • carbonic acid cis-3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethyl ester
    • Carbonic acid, cis-3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro(4.5)dec-3-en-4-y l ethyl ester
    • HY-120253
    • CAS-203313-25-1
    • CS-0077368
    • CS-0451924
    • NS00008224
    • C18807
    • H55575
    • EN300-7502063
    • Q2685527
    • cis-3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl ethylcarbonate
    • ethyl cis-8-methoxy-2-oxo-3-(2,5-xylyl)-1-azaspiro[4.5]dec-3-en-4-yl carbonate
    • 203313-25-1

  • Applications

    Chemical name: 3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro(4.5)dec-3-en-4-yl ethyl carbonate; CAS number: 203313-25-1. The compound is primarily used as a synthetic intermediate and as a carbamate-protecting group for amines in multi-step organic syntheses, enabling protection of functional groups and control of reaction sequences. In practice, it is often regarded as a building block for pharmaceutical research and the development of libraries of spirocyclic heterocycles, and may serve as a precursor for preparing spiropyran-based or other advanced heterocyclic compounds for materials science and process development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 58.92
    methanol 93.51
    isopropanol 34.67
    water 0.08
    ethyl acetate 103.78
    n-propanol 53.66
    acetone 148.65
    n-butanol 54.71
    acetonitrile 32.76
    DMF 356.37
    toluene 34.53
    isobutanol 40.24
    1,4-dioxane 110.04
    methyl acetate 99.25
    THF 195.39
    2-butanone 141.05
    n-pentanol 41.79
    sec-butanol 39.82
    n-hexane 0.58
    ethylene glycol 11.02
    NMP 400.92
    cyclohexane 1.24
    DMSO 161.61
    n-butyl acetate 64.14
    n-octanol 9.82
    chloroform 437.69
    n-propyl acetate 57.98
    acetic acid 174.47
    dichloromethane 328.37
    cyclohexanone 209.56
    propylene glycol 18.15
    isopropyl acetate 69.91
    DMAc 555.7
    2-ethoxyethanol 101.6
    isopentanol 54.56
    n-heptane 0.3
    ethyl formate 50.26
    1,2-dichloroethane 197.12
    n-hexanol 30.0
    2-methoxyethanol 165.07
    isobutyl acetate 45.33
    tetrachloromethane 20.17
    n-pentyl acetate 41.94
    transcutol 181.47
    n-heptanol 16.75
    ethylbenzene 15.32
    MIBK 63.54
    2-propoxyethanol 126.32
    tert-butanol 36.41
    MTBE 29.85
    2-butoxyethanol 71.74
    propionic acid 72.69
    o-xylene 20.61
    formic acid 69.35
    diethyl ether 34.23
    m-xylene 20.98
    p-xylene 25.64
    chlorobenzene 81.78
    dimethyl carbonate 83.83
    n-octane 0.26
    formamide 102.7
    cyclopentanone 241.46
    2-pentanone 109.92
    anisole 43.6
    cyclopentyl methyl ether 66.04
    gamma-butyrolactone 262.35
    1-methoxy-2-propanol 120.71
    pyridine 139.85
    3-pentanone 83.26
    furfural 192.16
    n-dodecane 0.36
    diethylene glycol 85.64
    diisopropyl ether 7.34
    tert-amyl alcohol 37.57
    acetylacetone 153.57
    n-hexadecane 0.42
    acetophenone 75.1
    methyl propionate 110.57
    isopentyl acetate 65.87
    trichloroethylene 482.72
    n-nonanol 11.43
    cyclohexanol 50.71
    benzyl alcohol 70.65
    2-ethylhexanol 16.44
    isooctanol 14.88
    dipropyl ether 11.48
    1,2-dichlorobenzene 77.26
    ethyl lactate 44.73
    propylene carbonate 139.87
    n-methylformamide 115.04
    2-pentanol 31.4
    n-pentane 0.59
    1-propoxy-2-propanol 66.77
    1-methoxy-2-propyl acetate 99.35
    2-(2-methoxypropoxy) propanol 69.96
    mesitylene 10.29
    ε-caprolactone 180.68
    p-cymene 9.57
    epichlorohydrin 319.17
    1,1,1-trichloroethane 136.27
    2-aminoethanol 30.67
    morpholine-4-carbaldehyde 297.1
    sulfolane 281.37
    2,2,4-trimethylpentane 0.77
    2-methyltetrahydrofuran 109.4
    n-hexyl acetate 44.85
    isooctane 0.47
    2-(2-butoxyethoxy)ethanol 85.27
    sec-butyl acetate 47.34
    tert-butyl acetate 65.0
    decalin 1.31
    glycerin 42.61
    diglyme 155.25
    acrylic acid 82.82
    isopropyl myristate 16.99
    n-butyric acid 118.16
    acetyl acetate 84.04
    di(2-ethylhexyl) phthalate 33.57
    ethyl propionate 52.15
    nitromethane 242.4
    1,2-diethoxyethane 52.3
    benzonitrile 57.87
    trioctyl phosphate 19.21
    1-bromopropane 58.0
    gamma-valerolactone 367.07
    n-decanol 8.37
    triethyl phosphate 29.99
    4-methyl-2-pentanol 21.32
    propionitrile 41.14
    vinylene carbonate 137.25
    1,1,2-trichlorotrifluoroethane 230.35
    DMS 74.87
    cumene 11.07
    2-octanol 9.12
    2-hexanone 61.71
    octyl acetate 24.87
    limonene 10.94
    1,2-dimethoxyethane 125.33
    ethyl orthosilicate 26.43
    tributyl phosphate 24.66
    diacetone alcohol 89.28
    N,N-dimethylaniline 33.25
    acrylonitrile 61.77
    aniline 71.18
    1,3-propanediol 64.41
    bromobenzene 77.74
    dibromomethane 169.7
    1,1,2,2-tetrachloroethane 363.68
    2-methyl-cyclohexyl acetate 44.72
    tetrabutyl urea 34.95
    diisobutyl methanol 9.38
    2-phenylethanol 64.29
    styrene 21.39
    dioctyl adipate 33.4
    dimethyl sulfate 148.2
    ethyl butyrate 39.76
    methyl lactate 78.02
    butyl lactate 45.72
    diethyl carbonate 33.08
    propanediol butyl ether 47.81
    triethyl orthoformate 31.79
    p-tert-butyltoluene 8.77
    methyl 4-tert-butylbenzoate 63.17
    morpholine 144.97
    tert-butylamine 13.72
    n-dodecanol 6.01
    dimethoxymethane 175.98
    ethylene carbonate 112.22
    cyrene 104.14
    2-ethoxyethyl acetate 84.49
    2-ethylhexyl acetate 47.87
    1,2,4-trichlorobenzene 108.31
    4-methylpyridine 149.77
    dibutyl ether 10.08
    2,6-dimethyl-4-heptanol 9.38
    DEF 154.57
    dimethyl isosorbide 125.35
    tetrachloroethylene 188.81
    eugenol 68.42
    triacetin 65.15
    span 80 50.96
    1,4-butanediol 27.34
    1,1-dichloroethane 174.55
    2-methyl-1-pentanol 48.02
    methyl formate 90.91
    2-methyl-1-butanol 52.49
    n-decane 0.52
    butyronitrile 42.02
    3,7-dimethyl-1-octanol 14.49
    1-chlorooctane 4.8
    1-chlorotetradecane 2.29
    n-nonane 0.37
    undecane 0.42
    tert-butylcyclohexane 1.02
    cyclooctane 0.39
    cyclopentanol 58.34
    tetrahydropyran 78.98
    tert-amyl methyl ether 28.65
    2,5,8-trioxanonane 103.5
    1-hexene 5.67
    2-isopropoxyethanol 74.35
    2,2,2-trifluoroethanol 76.53
    methyl butyrate 72.5

    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
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Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
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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