2-Pentanone, 5-methoxy-

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  • Identifiers

    CAS number
    17429-04-8

    Molecular formula
    C6H12O2

    SMILES
    CC(=O)CCCOC

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 71.11%
    Fruity 61.2%
    Ethereal 58.38%
    Caramellic 46.8%
    Herbal 41.92%
    Pungent 41.73%
    Buttery 41.36%
    Fermented 38.64%
    Nutty 37.84%
    Oily 37.74%

     

    Flavor
    Sweet 63.84%
    Ethereal 56.3%
    Ether 52.08%
    Fruity 47.05%
    Fruit 37.54%
    Solvent 36.91%
    Alcoholic 36.84%
    Bitter 33.63%
    Musty 33.28%
    Alcohol 32.94%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.1

    pKa est.
    7.13 (neutral)

    Molecular weight
    116.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    163°C

    Flash point

    • 45.27 ˚C est.

  • Synonyms

    • 17429-04-8
    • 2-Pentanone, 5-methoxy-
    • 5-METHOXY-2-PENTANONE
    • 3-Methoxypropyl methyl ketone
    • DTXSID00169808
    • RefChem:88979
    • DTXCID0092299
    • FXTIMAJUMAQUOG-UHFFFAOYSA-N
    • 5-methoxypentan-2-one
    • 2-Pentanone, 5-methoxy- (6CI,7CI,8CI,9CI)
    • 5-Methoxy-2-pentanone #
    • SCHEMBL1682671
    • SCHEMBL16097252
    • AKOS009390036
    • EBC-618159
    • DB-270692
    • EN300-106562
    • G46737
    • Z406376722
    • 17429-04-8

  • Applications

    2-Pentanone, 5-methoxy- (CAS 17429-04-8) is used as a fragrance ingredient and fragrance intermediate in perfumery; may serve as a solvent or processing aid in industrial manufacturing; used as an organic synthesis intermediate for aroma compounds; employed in cosmetics and personal care products as a fragrance component; used in household products as a fragrance or solvent; and in coatings and inks as a solvent or formulation additive.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3767.16
    methanol 5691.77
    isopropanol 1958.3
    water 181.15
    ethyl acetate 646.21
    n-propanol 1799.24
    acetone 839.97
    n-butanol 1568.28
    acetonitrile 1472.85
    DMF 1235.2
    toluene 216.39
    isobutanol 925.63
    1,4-dioxane 2025.25
    methyl acetate 696.2
    THF 1572.77
    2-butanone 536.19
    n-pentanol 721.07
    sec-butanol 1176.42
    n-hexane 92.05
    ethylene glycol 1157.0
    NMP 857.05
    cyclohexane 262.45
    DMSO 932.93
    n-butyl acetate 302.85
    n-octanol 271.48
    chloroform 2091.32
    n-propyl acetate 262.58
    acetic acid 3408.89
    dichloromethane 1786.07
    cyclohexanone 772.59
    propylene glycol 945.66
    isopropyl acetate 246.74
    DMAc 907.34
    2-ethoxyethanol 1209.85
    isopentanol 796.61
    n-heptane 98.59
    ethyl formate 734.31
    1,2-dichloroethane 632.54
    n-hexanol 658.16
    2-methoxyethanol 2563.23
    isobutyl acetate 139.81
    tetrachloromethane 409.99
    n-pentyl acetate 176.84
    transcutol 1727.98
    n-heptanol 240.6
    ethylbenzene 104.16
    MIBK 144.17
    2-propoxyethanol 940.23
    tert-butanol 1406.96
    MTBE 476.01
    2-butoxyethanol 462.26
    propionic acid 1260.68
    o-xylene 146.28
    formic acid 2040.8
    diethyl ether 762.68
    m-xylene 121.27
    p-xylene 140.88
    chlorobenzene 278.79
    dimethyl carbonate 126.24
    n-octane 27.44
    formamide 1660.2
    cyclopentanone 637.29
    2-pentanone 362.18
    anisole 288.64
    cyclopentyl methyl ether 540.43
    gamma-butyrolactone 838.04
    1-methoxy-2-propanol 1138.33
    pyridine 971.65
    3-pentanone 247.98
    furfural 895.18
    n-dodecane 21.18
    diethylene glycol 955.71
    diisopropyl ether 106.12
    tert-amyl alcohol 854.3
    acetylacetone 298.69
    n-hexadecane 22.76
    acetophenone 218.81
    methyl propionate 392.09
    isopentyl acetate 203.61
    trichloroethylene 1101.51
    n-nonanol 232.49
    cyclohexanol 1087.34
    benzyl alcohol 360.17
    2-ethylhexanol 296.09
    isooctanol 153.13
    dipropyl ether 305.59
    1,2-dichlorobenzene 220.2
    ethyl lactate 188.87
    propylene carbonate 440.3
    n-methylformamide 1153.68
    2-pentanol 652.08
    n-pentane 141.8
    1-propoxy-2-propanol 532.98
    1-methoxy-2-propyl acetate 243.61
    2-(2-methoxypropoxy) propanol 333.14
    mesitylene 62.87
    ε-caprolactone 752.47
    p-cymene 79.64
    epichlorohydrin 856.54
    1,1,1-trichloroethane 590.1
    2-aminoethanol 1826.05
    morpholine-4-carbaldehyde 1355.37
    sulfolane 569.21
    2,2,4-trimethylpentane 40.59
    2-methyltetrahydrofuran 1104.24
    n-hexyl acetate 274.23
    isooctane 19.29
    2-(2-butoxyethoxy)ethanol 536.32
    sec-butyl acetate 151.66
    tert-butyl acetate 180.89
    decalin 50.1
    glycerin 1074.22
    diglyme 883.81
    acrylic acid 1049.62
    isopropyl myristate 96.4
    n-butyric acid 1470.05
    acetyl acetate 356.09
    di(2-ethylhexyl) phthalate 112.62
    ethyl propionate 231.33
    nitromethane 2079.67
    1,2-diethoxyethane 435.53
    benzonitrile 384.72
    trioctyl phosphate 77.33
    1-bromopropane 482.92
    gamma-valerolactone 1137.96
    n-decanol 154.62
    triethyl phosphate 116.08
    4-methyl-2-pentanol 220.12
    propionitrile 851.23
    vinylene carbonate 457.14
    1,1,2-trichlorotrifluoroethane 974.74
    DMS 172.21
    cumene 68.31
    2-octanol 144.99
    2-hexanone 232.76
    octyl acetate 139.79
    limonene 143.97
    1,2-dimethoxyethane 1271.89
    ethyl orthosilicate 124.73
    tributyl phosphate 97.84
    diacetone alcohol 294.29
    N,N-dimethylaniline 180.32
    acrylonitrile 862.67
    aniline 550.9
    1,3-propanediol 1943.14
    bromobenzene 222.59
    dibromomethane 1061.38
    1,1,2,2-tetrachloroethane 890.71
    2-methyl-cyclohexyl acetate 176.13
    tetrabutyl urea 131.26
    diisobutyl methanol 115.44
    2-phenylethanol 284.17
    styrene 147.69
    dioctyl adipate 167.02
    dimethyl sulfate 151.82
    ethyl butyrate 254.66
    methyl lactate 265.9
    butyl lactate 170.15
    diethyl carbonate 174.39
    propanediol butyl ether 395.63
    triethyl orthoformate 197.79
    p-tert-butyltoluene 74.47
    methyl 4-tert-butylbenzoate 169.04
    morpholine 2644.32
    tert-butylamine 917.21
    n-dodecanol 113.53
    dimethoxymethane 575.54
    ethylene carbonate 424.82
    cyrene 265.42
    2-ethoxyethyl acetate 257.52
    2-ethylhexyl acetate 168.5
    1,2,4-trichlorobenzene 281.25
    4-methylpyridine 737.98
    dibutyl ether 242.94
    2,6-dimethyl-4-heptanol 115.44
    DEF 613.01
    dimethyl isosorbide 396.39
    tetrachloroethylene 739.35
    eugenol 217.32
    triacetin 265.12
    span 80 360.18
    1,4-butanediol 671.67
    1,1-dichloroethane 723.91
    2-methyl-1-pentanol 407.19
    methyl formate 612.91
    2-methyl-1-butanol 753.48
    n-decane 37.98
    butyronitrile 892.47
    3,7-dimethyl-1-octanol 209.24
    1-chlorooctane 114.61
    1-chlorotetradecane 46.75
    n-nonane 38.85
    undecane 26.61
    tert-butylcyclohexane 43.02
    cyclooctane 52.32
    cyclopentanol 1024.94
    tetrahydropyran 1592.98
    tert-amyl methyl ether 336.63
    2,5,8-trioxanonane 611.78
    1-hexene 257.77
    2-isopropoxyethanol 550.59
    2,2,2-trifluoroethanol 852.55
    methyl butyrate 349.34

    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