1-Methoxy-3-methylene-2-pentanone

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  • Identifiers

    CAS number
    55956-45-1

    Molecular formula
    C7H12O2

    SMILES
    CCC(=C)C(=O)COC

    Safety labels

  • Odor profile

    Fragrance
    Sweet 47.87%
    Fruity 47.76%
    Caramellic 47.41%
    Buttery 45.9%
    Nutty 38.43%
    Herbal 34.97%
    Pungent 34.39%
    Earthy 34.35%
    Ethereal 32.86%
    Ketonic 29.81%

     

    Flavor
    Fruity 56.6%
    Caramel 43.8%
    Nutty 41.47%
    Sweet 40.99%
    Creamy 37.58%
    Butter 33.31%
    Buttery 32.85%
    Oily 30.53%
    Fatty 30.35%
    Mushroom 27.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.2

    pKa est.
    8.12 (weak base)

    Molecular weight
    128.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    169°C

    Flash point

    • 45.02 ˚C est.

  • Synonyms

    • 1-Methoxy-3-methylene-2-pentanone
    • 1-methoxy-3-methylidenepentan-2-one
    • DTXSID80971365
    • RefChem:76157
    • DTXCID401398880
    • PEPJPZZZBHWOCM-UHFFFAOYSA-N
    • 55956-45-1
    • 2-Pentanone, 1-methoxy-3-methylene-
    • 8VZ3ZJD95E
    • CHEBI:173487
    • 3-Ethyl-1-methoxy-3-buten-2-one
    • 1-Methoxy-3-methylidene-pentan-2-one
    • 55956-45-1

  • Applications

    1-Methoxy-3-methylene-2-pentanone (CAS 55956-45-1) is primarily employed as an intermediate in fragrance and flavor chemistry, serving as a building block for aromatic compounds. In perfumery and cosmetics, it may function as an odorant or fragrance ingredient and is often evaluated for inclusion in personal care formulations. It can act as a reactive intermediate in industrial manufacturing to access more complex aroma molecules. In household products, it may be used as a fragrance additive to impart fresh or green notes. As a specialty chemical, it is typically used with formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 334.55
    methanol 384.9
    isopropanol 243.7
    water 9.37
    ethyl acetate 153.14
    n-propanol 274.38
    acetone 203.65
    n-butanol 213.84
    acetonitrile 298.56
    DMF 350.14
    toluene 58.13
    isobutanol 198.05
    1,4-dioxane 476.31
    methyl acetate 232.51
    THF 317.6
    2-butanone 194.64
    n-pentanol 158.74
    sec-butanol 260.85
    n-hexane 17.14
    ethylene glycol 169.32
    NMP 322.99
    cyclohexane 51.44
    DMSO 299.47
    n-butyl acetate 141.91
    n-octanol 116.2
    chloroform 684.01
    n-propyl acetate 119.22
    acetic acid 438.45
    dichloromethane 599.87
    cyclohexanone 310.34
    propylene glycol 165.75
    isopropyl acetate 74.8
    DMAc 258.45
    2-ethoxyethanol 265.07
    isopentanol 153.41
    n-heptane 22.5
    ethyl formate 215.07
    1,2-dichloroethane 293.75
    n-hexanol 174.31
    2-methoxyethanol 410.29
    isobutyl acetate 69.91
    tetrachloromethane 143.16
    n-pentyl acetate 93.8
    transcutol 461.85
    n-heptanol 101.82
    ethylbenzene 60.65
    MIBK 69.26
    2-propoxyethanol 237.97
    tert-butanol 304.01
    MTBE 131.97
    2-butoxyethanol 162.57
    propionic acid 294.52
    o-xylene 71.33
    formic acid 196.52
    diethyl ether 105.15
    m-xylene 51.3
    p-xylene 88.52
    chlorobenzene 158.11
    dimethyl carbonate 53.78
    n-octane 12.87
    formamide 224.85
    cyclopentanone 273.88
    2-pentanone 104.04
    anisole 133.36
    cyclopentyl methyl ether 121.17
    gamma-butyrolactone 377.41
    1-methoxy-2-propanol 221.26
    pyridine 310.42
    3-pentanone 90.4
    furfural 420.67
    n-dodecane 12.37
    diethylene glycol 251.84
    diisopropyl ether 32.23
    tert-amyl alcohol 272.27
    acetylacetone 123.91
    n-hexadecane 13.9
    acetophenone 137.5
    methyl propionate 118.94
    isopentyl acetate 126.56
    trichloroethylene 636.32
    n-nonanol 97.21
    cyclohexanol 242.53
    benzyl alcohol 149.16
    2-ethylhexanol 124.23
    isooctanol 87.08
    dipropyl ether 75.55
    1,2-dichlorobenzene 175.04
    ethyl lactate 98.03
    propylene carbonate 234.21
    n-methylformamide 269.8
    2-pentanol 126.69
    n-pentane 17.73
    1-propoxy-2-propanol 174.49
    1-methoxy-2-propyl acetate 114.33
    2-(2-methoxypropoxy) propanol 168.19
    mesitylene 41.87
    ε-caprolactone 280.32
    p-cymene 64.31
    epichlorohydrin 371.54
    1,1,1-trichloroethane 308.16
    2-aminoethanol 230.08
    morpholine-4-carbaldehyde 353.47
    sulfolane 391.31
    2,2,4-trimethylpentane 17.73
    2-methyltetrahydrofuran 250.15
    n-hexyl acetate 143.7
    isooctane 11.2
    2-(2-butoxyethoxy)ethanol 213.8
    sec-butyl acetate 68.09
    tert-butyl acetate 86.28
    decalin 28.61
    glycerin 227.14
    diglyme 371.05
    acrylic acid 287.93
    isopropyl myristate 60.64
    n-butyric acid 303.06
    acetyl acetate 109.33
    di(2-ethylhexyl) phthalate 73.47
    ethyl propionate 97.06
    nitromethane 549.01
    1,2-diethoxyethane 128.46
    benzonitrile 210.84
    trioctyl phosphate 55.82
    1-bromopropane 138.0
    gamma-valerolactone 392.29
    n-decanol 75.44
    triethyl phosphate 75.54
    4-methyl-2-pentanol 67.33
    propionitrile 214.68
    vinylene carbonate 256.38
    1,1,2-trichlorotrifluoroethane 377.76
    DMS 105.81
    cumene 55.8
    2-octanol 79.02
    2-hexanone 112.0
    octyl acetate 80.61
    limonene 92.42
    1,2-dimethoxyethane 351.25
    ethyl orthosilicate 70.77
    tributyl phosphate 62.21
    diacetone alcohol 145.89
    N,N-dimethylaniline 98.81
    acrylonitrile 295.76
    aniline 123.72
    1,3-propanediol 285.96
    bromobenzene 146.96
    dibromomethane 380.49
    1,1,2,2-tetrachloroethane 476.91
    2-methyl-cyclohexyl acetate 114.25
    tetrabutyl urea 82.39
    diisobutyl methanol 70.3
    2-phenylethanol 140.39
    styrene 73.84
    dioctyl adipate 98.16
    dimethyl sulfate 97.32
    ethyl butyrate 117.47
    methyl lactate 106.33
    butyl lactate 94.06
    diethyl carbonate 98.71
    propanediol butyl ether 168.83
    triethyl orthoformate 89.87
    p-tert-butyltoluene 59.22
    methyl 4-tert-butylbenzoate 139.32
    morpholine 454.78
    tert-butylamine 183.03
    n-dodecanol 59.0
    dimethoxymethane 140.67
    ethylene carbonate 192.38
    cyrene 168.25
    2-ethoxyethyl acetate 114.24
    2-ethylhexyl acetate 97.72
    1,2,4-trichlorobenzene 212.08
    4-methylpyridine 214.04
    dibutyl ether 82.86
    2,6-dimethyl-4-heptanol 70.3
    DEF 162.55
    dimethyl isosorbide 229.98
    tetrachloroethylene 373.48
    eugenol 146.04
    triacetin 133.99
    span 80 155.55
    1,4-butanediol 136.98
    1,1-dichloroethane 288.26
    2-methyl-1-pentanol 137.89
    methyl formate 227.35
    2-methyl-1-butanol 170.44
    n-decane 19.48
    butyronitrile 223.18
    3,7-dimethyl-1-octanol 100.24
    1-chlorooctane 67.37
    1-chlorotetradecane 30.75
    n-nonane 18.98
    undecane 15.24
    tert-butylcyclohexane 26.03
    cyclooctane 14.72
    cyclopentanol 250.0
    tetrahydropyran 284.38
    tert-amyl methyl ether 99.86
    2,5,8-trioxanonane 260.0
    1-hexene 54.96
    2-isopropoxyethanol 170.74
    2,2,2-trifluoroethanol 174.3
    methyl butyrate 158.71

    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