2-Methoxycyclohexanone

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  • Identifiers

    CAS number
    7429-44-9

    Molecular formula
    C7H12O2

    SMILES
    COC1CCCCC1=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Caramellic 59.58%
    Sweet 54.26%
    Mint 50.97%
    Nutty 41.8%
    Solvent 38.7%
    Camphoreous 37.93%
    Ketonic 36.33%
    Ethereal 35.42%
    Musty 34.47%
    Burnt 33.16%

     

    Flavor
    Caramel 53.91%
    Sweet 53.82%
    Minty 33.5%
    Nutty 30.91%
    Buttery 29.25%
    Coconut 28.66%
    Coumarin 26.71%
    Fruity 26.37%
    Fatty 25.89%
    Oily 25.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    7.27 (neutral)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    189°C

    Flash point

    • 59.3 ˚C est.

  • Synonyms

    • 2-Methoxycyclohexanone
    • 2-methoxycyclohexan-1-one
    • 7429-44-9
    • Cyclohexanone, 2-methoxy-
    • DTXSID20864060
    • RefChem:87901
    • DTXCID30812613
    • 231-071-8
    • MFCD00009610
    • 87938-34-9
    • (S)-2-Methoxycyclohexan-1-one
    • methoxycyclohexanone
    • EINECS 231-071-8
    • 2-Methoxy-cyclohexanone
    • (+)-2-methoxycyclohexanone
    • (2s)-2-methoxycyclohexanone
    • (RS)-2-methoxycyclohexanone
    • (2R)-2-methoxycyclohexanone
    • racemic 2-methoxycyclohexanone
    • 2-Methoxycyclohexanone, 97%
    • SCHEMBL181970
    • (+/-)-2-methoxycyclohexanone
    • 7429-44-9-Deleted-CAS
    • AKOS009156954
    • AS-59453
    • SY051810
    • DB-043266
    • DB-055856
    • CS-0183772
    • M1171
    • NS00046497
    • EN300-42158
    • P19682
    • 7429-44-9

  • Applications

    2-Methoxycyclohexanone (CAS 7429-44-9) is used as an intermediate and solvent in organic synthesis, commonly serving as a precursor for fragrance and flavor compounds in the perfumery and cosmetics industries; it can also function as a solvent or co-solvent in industrial manufacturing and is considered a building block for pharmaceutical and agrochemical syntheses. Additionally, it can act as a building block for polymer materials and coating formulations, or appear in cleaning formulations and personal care product development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1529.52
    methanol 2681.31
    isopropanol 1007.5
    water 25.57
    ethyl acetate 891.57
    n-propanol 1110.11
    acetone 1454.32
    n-butanol 828.0
    acetonitrile 2169.88
    DMF 1191.99
    toluene 334.12
    isobutanol 761.57
    1,4-dioxane 1898.28
    methyl acetate 962.95
    THF 1591.98
    2-butanone 959.1
    n-pentanol 559.96
    sec-butanol 738.86
    n-hexane 64.85
    ethylene glycol 507.87
    NMP 1206.3
    cyclohexane 127.85
    DMSO 1848.01
    n-butyl acetate 506.11
    n-octanol 287.31
    chloroform 3692.85
    n-propyl acetate 546.14
    acetic acid 2638.59
    dichloromethane 3442.49
    cyclohexanone 1259.46
    propylene glycol 403.19
    isopropyl acetate 447.79
    DMAc 646.31
    2-ethoxyethanol 925.02
    isopentanol 615.77
    n-heptane 46.76
    ethyl formate 814.08
    1,2-dichloroethane 1545.15
    n-hexanol 436.77
    2-methoxyethanol 1402.99
    isobutyl acetate 314.0
    tetrachloromethane 586.51
    n-pentyl acetate 369.97
    transcutol 2403.74
    n-heptanol 238.64
    ethylbenzene 175.41
    MIBK 398.74
    2-propoxyethanol 804.46
    tert-butanol 971.94
    MTBE 570.99
    2-butoxyethanol 490.83
    propionic acid 1317.41
    o-xylene 216.05
    formic acid 1159.69
    diethyl ether 723.83
    m-xylene 223.18
    p-xylene 247.7
    chlorobenzene 804.52
    dimethyl carbonate 225.04
    n-octane 25.83
    formamide 1240.8
    cyclopentanone 1453.94
    2-pentanone 660.79
    anisole 446.19
    cyclopentyl methyl ether 697.2
    gamma-butyrolactone 1907.33
    1-methoxy-2-propanol 802.39
    pyridine 1372.73
    3-pentanone 433.05
    furfural 1617.32
    n-dodecane 25.71
    diethylene glycol 815.95
    diisopropyl ether 182.44
    tert-amyl alcohol 654.77
    acetylacetone 743.3
    n-hexadecane 28.83
    acetophenone 417.93
    methyl propionate 534.09
    isopentyl acetate 393.72
    trichloroethylene 3046.61
    n-nonanol 224.35
    cyclohexanol 699.67
    benzyl alcohol 459.97
    2-ethylhexanol 245.98
    isooctanol 205.1
    dipropyl ether 274.41
    1,2-dichlorobenzene 690.81
    ethyl lactate 267.47
    propylene carbonate 935.34
    n-methylformamide 1256.24
    2-pentanol 469.02
    n-pentane 70.84
    1-propoxy-2-propanol 490.54
    1-methoxy-2-propyl acetate 411.95
    2-(2-methoxypropoxy) propanol 391.36
    mesitylene 156.31
    ε-caprolactone 1081.44
    p-cymene 130.46
    epichlorohydrin 1835.53
    1,1,1-trichloroethane 1406.34
    2-aminoethanol 767.22
    morpholine-4-carbaldehyde 1266.21
    sulfolane 1870.84
    2,2,4-trimethylpentane 48.66
    2-methyltetrahydrofuran 1184.52
    n-hexyl acetate 548.66
    isooctane 39.04
    2-(2-butoxyethoxy)ethanol 616.45
    sec-butyl acetate 313.49
    tert-butyl acetate 446.15
    decalin 59.69
    glycerin 618.94
    diglyme 1180.07
    acrylic acid 1304.28
    isopropyl myristate 170.54
    n-butyric acid 1322.53
    acetyl acetate 599.48
    di(2-ethylhexyl) phthalate 171.07
    ethyl propionate 389.77
    nitromethane 3179.01
    1,2-diethoxyethane 613.34
    benzonitrile 859.91
    trioctyl phosphate 126.27
    1-bromopropane 789.99
    gamma-valerolactone 1632.82
    n-decanol 159.51
    triethyl phosphate 168.39
    4-methyl-2-pentanol 239.01
    propionitrile 1174.6
    vinylene carbonate 930.59
    1,1,2-trichlorotrifluoroethane 1279.33
    DMS 392.55
    cumene 136.37
    2-octanol 178.15
    2-hexanone 496.87
    octyl acetate 229.61
    limonene 186.34
    1,2-dimethoxyethane 1149.16
    ethyl orthosilicate 160.47
    tributyl phosphate 166.86
    diacetone alcohol 512.89
    N,N-dimethylaniline 260.3
    acrylonitrile 1541.89
    aniline 606.21
    1,3-propanediol 934.98
    bromobenzene 802.4
    dibromomethane 1992.52
    1,1,2,2-tetrachloroethane 1993.76
    2-methyl-cyclohexyl acetate 268.63
    tetrabutyl urea 191.36
    diisobutyl methanol 156.46
    2-phenylethanol 348.79
    styrene 262.92
    dioctyl adipate 255.99
    dimethyl sulfate 383.23
    ethyl butyrate 365.87
    methyl lactate 323.87
    butyl lactate 289.04
    diethyl carbonate 245.16
    propanediol butyl ether 488.39
    triethyl orthoformate 233.66
    p-tert-butyltoluene 122.5
    methyl 4-tert-butylbenzoate 339.08
    morpholine 1824.3
    tert-butylamine 570.5
    n-dodecanol 118.19
    dimethoxymethane 617.62
    ethylene carbonate 762.59
    cyrene 367.88
    2-ethoxyethyl acetate 485.08
    2-ethylhexyl acetate 280.72
    1,2,4-trichlorobenzene 780.89
    4-methylpyridine 1066.48
    dibutyl ether 301.21
    2,6-dimethyl-4-heptanol 156.46
    DEF 681.18
    dimethyl isosorbide 582.88
    tetrachloroethylene 1585.11
    eugenol 370.66
    triacetin 452.24
    span 80 363.69
    1,4-butanediol 441.57
    1,1-dichloroethane 1617.84
    2-methyl-1-pentanol 420.84
    methyl formate 962.5
    2-methyl-1-butanol 608.86
    n-decane 43.67
    butyronitrile 1006.03
    3,7-dimethyl-1-octanol 238.08
    1-chlorooctane 194.82
    1-chlorotetradecane 72.01
    n-nonane 44.29
    undecane 32.24
    tert-butylcyclohexane 61.74
    cyclooctane 39.51
    cyclopentanol 878.84
    tetrahydropyran 1292.65
    tert-amyl methyl ether 357.97
    2,5,8-trioxanonane 661.85
    1-hexene 239.94
    2-isopropoxyethanol 574.87
    2,2,2-trifluoroethanol 778.45
    methyl butyrate 596.99

    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