2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2525-16-8

    Molecular formula
    C7H13NO

    SMILES
    COC1=NCCCCC1

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Herbal 56.69%
    Mint 43.23%
    Green 37.39%
    Woody 32.72%
    Musty 32.06%
    Nutty 31.95%
    Sweet 31.52%
    Spicy 31.49%
    Earthy 30.72%
    Fresh 27.38%

     

    Flavor
    Fruity 52.43%
    Floral 27.29%
    Fruit 27.14%
    Pineapple 25.71%
    Musty 23.62%
    Earthy 23.61%
    Caramel 23.48%
    Spicy 22.53%
    Animal 22.13%
    Shrimp 22.04%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.8

    pKa est.
    7.85 (neutral)

    Molecular weight
    127.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    185°C

    Flash point

    • 79.65 ˚C est.

  • Synonyms

    • 7-Methoxy-3,4,5,6-tetrahydro-2H-azepine
    • 2525-16-8
    • Caprolactim methyl ether
    • 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-
    • 1-Aza-2-methoxy-1-cycloheptene
    • 2-Methoxy-1-azacycloheptene
    • O-Methylhexanolactim
    • Caprolactim-O-methyl ether
    • 3,4,5,6-Tetrahydro-7-methoxy-2H-azepine
    • FD6DMX4LAT
    • epsilon-Caprolactim ether
    • NSC 31263
    • NSC 523095
    • EINECS 219-762-2
    • NSC-31263
    • NSC-523095
    • Methyl 3,4,5,6-tetrahydro-7H-azepin-2-yl ether
    • DTXSID3062491
    • RefChem:484246
    • DTXCID3037250
    • InChI=1/C7H13NO/c1-9-7-5-3-2-4-6-8-7/h2-6H2,1H
    • O-Methylcaprolactim
    • MFCD00006938
    • 2-methoxy-4,5,6,7-tetrahydro-3H-azepine
    • O-METHYLCAPROLACTAM
    • .epsilon.-Caprolactim ether
    • O-Methyl-.epsilon.-caprolactim
    • 1-Aza-2-methoxy-1-cycloheptane
    • 4,5,6,7-tetrahydro-2-methoxy-3H-azepine
    • 3,5,6-Tetrahydro-7-methoxy-2H-azepine
    • 7-Methoxy-3,5,6-tetrahydro-2H-azepine
    • 2H-Azepine,4,5,6-tetrahydro-7-methoxy-
    • methyl tetrahydroazepinyl ether
    • o-Methyl caprolactim
    • UNII-FD6DMX4LAT
    • 2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-
    • caprolactim 0-methyl ether
    • SCHEMBL343099
    • orb3029987
    • .epsilon.-Caprolactim methyl ether
    • NSC31263
    • NSC523095
    • SBB042853
    • STL299811
    • AKOS000120660
    • CS-W019476
    • GS-5912
    • 1-Aza-2-methoxy-1-cycloheptene, 99%
    • SY064664
    • 7-methoxy-2,3-dihydro-4H,5H,6H-azepine
    • DB-046654
    • A3282
    • NS00012993
    • EN300-21695
    • (E)-7-methoxy-3,4,5,6-tetrahydro-2H-azepine
    • F075009
    • Methyl 3,4,5,6-tetrahydro-2H-azepin-7-yl ether #
    • F0001-0853
    • 7-Methoxy-3,4,5,6-tetrahydro-2H-azepine Stabilized with KOH
    • 2525-16-8

  • Applications

    2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-, CAS 2525-16-8, is typically used as an intermediate and building block in organic synthesis for medicinal chemistry, providing a saturated azepine scaffold to access analogs in pharmaceutical research. It is commonly evaluated for library generation and structure-activity exploration in medicinal chemistry workflows, and can serve as a precursor to other substituted azepines in synthetic routes. In laboratory and process chemistry settings, it supports the development of azepine-containing compounds, with use governed by applicable regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3454.73
    methanol 5328.96
    isopropanol 2377.14
    water 13.18
    ethyl acetate 2545.62
    n-propanol 2623.35
    acetone 4440.27
    n-butanol 2138.71
    acetonitrile 5902.7
    DMF 4873.59
    toluene 1927.54
    isobutanol 1970.04
    1,4-dioxane 3862.61
    methyl acetate 2562.24
    THF 4487.56
    2-butanone 2908.51
    n-pentanol 1418.95
    sec-butanol 2089.32
    n-hexane 256.07
    ethylene glycol 959.2
    NMP 4117.32
    cyclohexane 535.17
    DMSO 6465.52
    n-butyl acetate 1254.21
    n-octanol 574.55
    chloroform 14732.2
    n-propyl acetate 1373.41
    acetic acid 5721.54
    dichloromethane 12835.27
    cyclohexanone 4124.61
    propylene glycol 992.14
    isopropyl acetate 1236.76
    DMAc 2640.27
    2-ethoxyethanol 1956.23
    isopentanol 1547.71
    n-heptane 154.63
    ethyl formate 2233.68
    1,2-dichloroethane 5450.45
    n-hexanol 953.4
    2-methoxyethanol 3241.66
    isobutyl acetate 748.76
    tetrachloromethane 2486.48
    n-pentyl acetate 946.83
    transcutol 3634.86
    n-heptanol 498.12
    ethylbenzene 644.16
    MIBK 976.31
    2-propoxyethanol 1576.94
    tert-butanol 2150.74
    MTBE 1662.37
    2-butoxyethanol 954.64
    propionic acid 3372.08
    o-xylene 823.55
    formic acid 2112.15
    diethyl ether 1923.74
    m-xylene 804.29
    p-xylene 952.64
    chlorobenzene 3661.35
    dimethyl carbonate 732.7
    n-octane 74.71
    formamide 2509.24
    cyclopentanone 4570.21
    2-pentanone 2055.58
    anisole 1413.75
    cyclopentyl methyl ether 1983.69
    gamma-butyrolactone 5392.55
    1-methoxy-2-propanol 1944.55
    pyridine 6894.78
    3-pentanone 1556.81
    furfural 5182.39
    n-dodecane 62.29
    diethylene glycol 1254.08
    diisopropyl ether 427.14
    tert-amyl alcohol 1706.77
    acetylacetone 2120.76
    n-hexadecane 71.45
    acetophenone 1305.89
    methyl propionate 1783.36
    isopentyl acetate 905.19
    trichloroethylene 11380.02
    n-nonanol 456.32
    cyclohexanol 1803.9
    benzyl alcohol 1390.09
    2-ethylhexanol 524.79
    isooctanol 416.27
    dipropyl ether 723.19
    1,2-dichlorobenzene 2544.9
    ethyl lactate 589.15
    propylene carbonate 2375.97
    n-methylformamide 3691.34
    2-pentanol 1252.05
    n-pentane 273.74
    1-propoxy-2-propanol 993.49
    1-methoxy-2-propyl acetate 855.72
    2-(2-methoxypropoxy) propanol 679.22
    mesitylene 465.24
    ε-caprolactone 3095.18
    p-cymene 324.23
    epichlorohydrin 4986.59
    1,1,1-trichloroethane 5486.66
    2-aminoethanol 1705.06
    morpholine-4-carbaldehyde 3127.49
    sulfolane 5550.58
    2,2,4-trimethylpentane 137.77
    2-methyltetrahydrofuran 3379.5
    n-hexyl acetate 1199.52
    isooctane 91.78
    2-(2-butoxyethoxy)ethanol 1040.0
    sec-butyl acetate 768.04
    tert-butyl acetate 1064.74
    decalin 182.98
    glycerin 1358.49
    diglyme 2201.59
    acrylic acid 3353.66
    isopropyl myristate 364.07
    n-butyric acid 3561.85
    acetyl acetate 1610.47
    di(2-ethylhexyl) phthalate 391.84
    ethyl propionate 1067.16
    nitromethane 7595.15
    1,2-diethoxyethane 1243.29
    benzonitrile 3063.59
    trioctyl phosphate 259.5
    1-bromopropane 3262.66
    gamma-valerolactone 4537.72
    n-decanol 310.4
    triethyl phosphate 360.42
    4-methyl-2-pentanol 529.58
    propionitrile 3429.68
    vinylene carbonate 2556.6
    1,1,2-trichlorotrifluoroethane 3763.66
    DMS 822.05
    cumene 385.71
    2-octanol 397.79
    2-hexanone 1323.9
    octyl acetate 501.13
    limonene 468.84
    1,2-dimethoxyethane 2763.45
    ethyl orthosilicate 331.12
    tributyl phosphate 335.87
    diacetone alcohol 1064.47
    N,N-dimethylaniline 789.82
    acrylonitrile 5045.87
    aniline 2560.9
    1,3-propanediol 2004.72
    bromobenzene 4179.97
    dibromomethane 7870.86
    1,1,2,2-tetrachloroethane 7592.29
    2-methyl-cyclohexyl acetate 533.16
    tetrabutyl urea 422.61
    diisobutyl methanol 301.05
    2-phenylethanol 928.2
    styrene 1184.82
    dioctyl adipate 538.01
    dimethyl sulfate 1203.16
    ethyl butyrate 871.63
    methyl lactate 852.27
    butyl lactate 665.82
    diethyl carbonate 560.3
    propanediol butyl ether 986.88
    triethyl orthoformate 516.4
    p-tert-butyltoluene 296.85
    methyl 4-tert-butylbenzoate 802.87
    morpholine 4284.94
    tert-butylamine 1345.85
    n-dodecanol 231.5
    dimethoxymethane 1778.39
    ethylene carbonate 2030.82
    cyrene 763.6
    2-ethoxyethyl acetate 1071.35
    2-ethylhexyl acetate 692.7
    1,2,4-trichlorobenzene 2836.41
    4-methylpyridine 5146.87
    dibutyl ether 722.0
    2,6-dimethyl-4-heptanol 301.05
    DEF 2410.49
    dimethyl isosorbide 1054.4
    tetrachloroethylene 5601.63
    eugenol 852.73
    triacetin 1010.0
    span 80 773.63
    1,4-butanediol 873.41
    1,1-dichloroethane 6207.76
    2-methyl-1-pentanol 1063.63
    methyl formate 2540.22
    2-methyl-1-butanol 1617.99
    n-decane 103.49
    butyronitrile 3217.84
    3,7-dimethyl-1-octanol 474.21
    1-chlorooctane 458.3
    1-chlorotetradecane 165.51
    n-nonane 110.61
    undecane 75.47
    tert-butylcyclohexane 162.29
    cyclooctane 136.43
    cyclopentanol 2444.71
    tetrahydropyran 3667.82
    tert-amyl methyl ether 994.75
    2,5,8-trioxanonane 1182.41
    1-hexene 931.26
    2-isopropoxyethanol 1116.13
    2,2,2-trifluoroethanol 1531.5
    methyl butyrate 1711.94

    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