1-(2-Methoxyphenyl)propan-1-one

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  • Identifiers

    CAS number
    5561-92-2

    Molecular formula
    C10H12O2

    SMILES
    CCC(=O)C1=CC=CC=C1OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 62.68%
    Fruity 52.32%
    Floral 43.28%
    Vanilla 43.17%
    Anisic 41.23%
    Herbal 38.86%
    Caramellic 36.99%
    Hay 35.84%
    Phenolic 33.61%
    Powdery 33.47%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.4 (neutral)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    263°C

    Flash point est.
    97.74 ˚C

  • Synonyms

    • 1-(2-methoxyphenyl)propan-1-one
    • 5561-92-2
    • 2'-Methoxypropiophenone
    • 1-(2-methoxy-phenyl)-propan-1-one
    • DTXSID70970948
    • 1-Propanone, 1-(2-methoxyphenyl)-
    • Propionylanisol
    • NSC406919
    • starbld0007543
    • SCHEMBL878658
    • 1-(2-Methoxyphenyl)-1-propanone
    • DTXCID801398470
    • ALBB-019343
    • MFCD00048613
    • STK727354
    • AKOS000187009
    • AS-6398
    • FM68038
    • NSC-406919
    • EN300-36703
    • N12422
    • Z54462534
    • F9994-5255
    • 958-876-3

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 415.31
    methanol 492.7
    isopropanol 273.41
    water 2.19
    ethyl acetate 481.03
    n-propanol 305.74
    acetone 754.01
    n-butanol 286.19
    acetonitrile 844.01
    DMF 1227.39
    toluene 382.89
    isobutanol 237.66
    1,4-dioxane 957.47
    methyl acetate 664.73
    THF 832.62
    2-butanone 570.98
    n-pentanol 232.71
    sec-butanol 258.16
    n-hexane 52.55
    ethylene glycol 241.24
    NMP 868.36
    cyclohexane 140.6
    DMSO 1007.69
    n-butyl acetate 358.91
    n-octanol 226.03
    chloroform 2774.8
    n-propyl acetate 369.73
    acetic acid 539.28
    dichloromethane 3455.62
    cyclohexanone 893.0
    propylene glycol 153.48
    isopropyl acetate 232.27
    DMAc 805.61
    2-ethoxyethanol 423.94
    isopentanol 217.53
    n-heptane 65.68
    ethyl formate 635.84
    1,2-dichloroethane 1737.68
    n-hexanol 262.68
    2-methoxyethanol 704.69
    isobutyl acetate 204.5
    tetrachloromethane 485.28
    n-pentyl acetate 243.77
    transcutol 622.65
    n-heptanol 163.98
    ethylbenzene 258.22
    MIBK 226.21
    2-propoxyethanol 421.09
    tert-butanol 339.59
    MTBE 256.77
    2-butoxyethanol 263.97
    propionic acid 414.43
    o-xylene 279.41
    formic acid 187.41
    diethyl ether 336.23
    m-xylene 268.47
    p-xylene 334.18
    chlorobenzene 711.73
    dimethyl carbonate 342.79
    n-octane 40.39
    formamide 398.18
    cyclopentanone 977.55
    2-pentanone 387.6
    anisole 483.73
    cyclopentyl methyl ether 372.78
    gamma-butyrolactone 1160.44
    1-methoxy-2-propanol 392.97
    pyridine 987.72
    3-pentanone 361.45
    furfural 1174.01
    n-dodecane 40.01
    diethylene glycol 419.11
    diisopropyl ether 97.51
    tert-amyl alcohol 275.85
    acetylacetone 523.82
    n-hexadecane 46.31
    acetophenone 462.96
    methyl propionate 462.06
    isopentyl acetate 278.61
    trichloroethylene 3086.87
    n-nonanol 188.18
    cyclohexanol 325.99
    benzyl alcohol 399.83
    2-ethylhexanol 194.03
    isooctanol 136.4
    dipropyl ether 228.19
    1,2-dichlorobenzene 677.19
    ethyl lactate 230.37
    propylene carbonate 722.83
    n-methylformamide 705.15
    2-pentanol 162.85
    n-pentane 51.16
    1-propoxy-2-propanol 274.72
    1-methoxy-2-propyl acetate 311.38
    2-(2-methoxypropoxy) propanol 259.13
    mesitylene 189.09
    ε-caprolactone 688.15
    p-cymene 172.25
    epichlorohydrin 1389.31
    1,1,1-trichloroethane 1336.09
    2-aminoethanol 273.97
    morpholine-4-carbaldehyde 929.64
    sulfolane 1240.97
    2,2,4-trimethylpentane 32.97
    2-methyltetrahydrofuran 538.31
    n-hexyl acetate 377.99
    isooctane 28.35
    2-(2-butoxyethoxy)ethanol 324.97
    sec-butyl acetate 197.86
    tert-butyl acetate 240.55
    decalin 79.23
    glycerin 257.36
    diglyme 713.05
    acrylic acid 444.66
    isopropyl myristate 163.39
    n-butyric acid 456.35
    acetyl acetate 367.8
    di(2-ethylhexyl) phthalate 157.54
    ethyl propionate 317.54
    nitromethane 1140.18
    1,2-diethoxyethane 306.62
    benzonitrile 675.89
    trioctyl phosphate 123.19
    1-bromopropane 627.9
    gamma-valerolactone 1036.27
    n-decanol 146.0
    triethyl phosphate 193.7
    4-methyl-2-pentanol 101.85
    propionitrile 592.21
    vinylene carbonate 834.65
    1,1,2-trichlorotrifluoroethane 878.91
    DMS 339.82
    cumene 180.62
    2-octanol 134.4
    2-hexanone 321.53
    octyl acetate 215.71
    limonene 222.51
    1,2-dimethoxyethane 789.26
    ethyl orthosilicate 166.78
    tributyl phosphate 140.69
    diacetone alcohol 285.04
    N,N-dimethylaniline 314.16
    acrylonitrile 855.47
    aniline 411.45
    1,3-propanediol 350.73
    bromobenzene 828.74
    dibromomethane 1906.87
    1,1,2,2-tetrachloroethane 1866.27
    2-methyl-cyclohexyl acetate 242.91
    tetrabutyl urea 201.87
    diisobutyl methanol 119.17
    2-phenylethanol 324.44
    styrene 360.51
    dioctyl adipate 240.86
    dimethyl sulfate 500.5
    ethyl butyrate 338.3
    methyl lactate 256.44
    butyl lactate 192.8
    diethyl carbonate 304.24
    propanediol butyl ether 239.23
    triethyl orthoformate 215.42
    p-tert-butyltoluene 156.07
    methyl 4-tert-butylbenzoate 321.28
    morpholine 782.66
    tert-butylamine 231.47
    n-dodecanol 119.14
    dimethoxymethane 649.29
    ethylene carbonate 659.12
    cyrene 296.24
    2-ethoxyethyl acetate 306.12
    2-ethylhexyl acetate 229.4
    1,2,4-trichlorobenzene 707.23
    4-methylpyridine 827.4
    dibutyl ether 232.87
    2,6-dimethyl-4-heptanol 119.17
    DEF 575.09
    dimethyl isosorbide 421.45
    tetrachloroethylene 1372.71
    eugenol 323.58
    triacetin 341.22
    span 80 232.76
    1,4-butanediol 184.85
    1,1-dichloroethane 1323.24
    2-methyl-1-pentanol 204.53
    methyl formate 748.66
    2-methyl-1-butanol 223.99
    n-decane 59.96
    butyronitrile 547.16
    3,7-dimethyl-1-octanol 179.09
    1-chlorooctane 215.26
    1-chlorotetradecane 97.55
    n-nonane 60.92
    undecane 47.67
    tert-butylcyclohexane 64.13
    cyclooctane 50.25
    cyclopentanol 344.85
    tetrahydropyran 623.37
    tert-amyl methyl ether 204.64
    2,5,8-trioxanonane 474.5
    1-hexene 162.08
    2-isopropoxyethanol 278.07
    2,2,2-trifluoroethanol 240.64
    methyl butyrate 479.12

    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