1-(3-Methoxyphenyl)acetone

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  • Identifiers

    CAS number
    3027-13-2

    Molecular formula
    C10H12O2

    SMILES
    CC(=O)CC1=CC(=CC=C1)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 86.32%
    Sweet 70.19%
    Floral 54.37%
    Green 46.65%
    Woody 46.47%
    Spicy 44.25%
    Berry 42.37%
    Balsamic 37.46%
    Cherry 36.01%
    Raspberry 35.04%

     

    Flavor
    Sweet 80.25%
    Fruity 61.65%
    Spicy 52.75%
    Floral 50.2%
    Balsam 38.79%
    Woody 37.33%
    Spice 34.19%
    Raspberry 33.57%
    Powdery 32.93%
    Cherry 29.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    7.56 (neutral)

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    262°C

    Flash point

    • 109.97 ˚C est.

  • Synonyms

    • 3027-13-2
    • 1-(3-Methoxyphenyl)acetone
    • EINECS 221-191-9
    • DTXSID00184359
    • RefChem:423962
    • DTXCID60106850
    • 221-191-9
    • 3-Methoxyphenylacetone
    • 1-(3-methoxyphenyl)propan-2-one
    • 2-Propanone, 1-(3-methoxyphenyl)-
    • MFCD00008771
    • 3-Methoxyphenyl acetone
    • 1-(3-METHOXYPHENYL)-2-PROPANONE
    • m-Methoxyphenyl acetone
    • 1-(3-methoxy-phenyl)-propan-2-one
    • m-methoxyphenylacetone
    • (3-methoxyphenyl)acetone
    • 3-Methoxybenzyl methyl ketone
    • 3-Methoxyphenylacetone, 97%
    • SCHEMBL269177
    • 1-(3-Methoxyphenyl)acetone #
    • SCHEMBL2091042
    • SCHEMBL28072612
    • SCHEMBL28144556
    • 3-(3-methoxyphenyl)propan-2-one
    • BB_SC-12908
    • 2-Propanone, 1-(m-methoxyphenyl)-
    • 1-[3-(methyloxy)phenyl]-2-propanone
    • AKOS000215922
    • AB90662
    • FM69954
    • BP-11401
    • PD151211
    • SY061776
    • DB-016940
    • NS00028889
    • ST50407208
    • EN300-118840
    • 1-(3-Methoxyphenyl)propan-2-one;1-(3-Methoxyphenyl)acetone;
    • 3027-13-2

  • Applications

    1-(3-Methoxyphenyl)acetone (CAS 3027-13-2) is primarily used as a synthetic building block in organic synthesis, serving as an intermediate to access various pharmacophores and agrochemical motifs; in perfumery and cosmetics, it is evaluated as a fragrance intermediate contributing to aromatic notes in formulation blends; in flavor applications, it may be studied as a precursor influencing aroma profiles in complex systems; in pharmaceuticals, it functions as a synthetic intermediate for the preparation of more advanced active compounds; in polymers and plastics, it can be employed as a building block for specialty monomers or crosslinking reagents; in coatings and inks, it can act as a reactive intermediate or odor-influencing additive within formulated products; use and handling are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 731.85
    methanol 1073.37
    isopropanol 492.76
    water 25.14
    ethyl acetate 452.09
    n-propanol 524.89
    acetone 1176.1
    n-butanol 412.46
    acetonitrile 774.91
    DMF 1361.49
    toluene 161.08
    isobutanol 335.54
    1,4-dioxane 990.17
    methyl acetate 666.79
    THF 884.58
    2-butanone 635.32
    n-pentanol 256.35
    sec-butanol 356.72
    n-hexane 42.02
    ethylene glycol 526.54
    NMP 1024.05
    cyclohexane 51.42
    DMSO 1440.35
    n-butyl acetate 174.82
    n-octanol 108.9
    chloroform 1168.3
    n-propyl acetate 201.01
    acetic acid 1164.89
    dichloromethane 983.12
    cyclohexanone 621.76
    propylene glycol 447.1
    isopropyl acetate 213.3
    DMAc 1228.42
    2-ethoxyethanol 555.89
    isopentanol 316.38
    n-heptane 17.19
    ethyl formate 302.57
    1,2-dichloroethane 647.71
    n-hexanol 205.65
    2-methoxyethanol 1000.59
    isobutyl acetate 128.38
    tetrachloromethane 159.77
    n-pentyl acetate 105.73
    transcutol 1423.52
    n-heptanol 83.19
    ethylbenzene 88.21
    MIBK 199.93
    2-propoxyethanol 412.95
    tert-butanol 605.58
    MTBE 404.84
    2-butoxyethanol 189.88
    propionic acid 664.8
    o-xylene 122.59
    formic acid 669.76
    diethyl ether 469.75
    m-xylene 118.94
    p-xylene 112.43
    chlorobenzene 273.49
    dimethyl carbonate 266.31
    n-octane 6.65
    formamide 746.73
    cyclopentanone 739.49
    2-pentanone 397.45
    anisole 275.78
    cyclopentyl methyl ether 419.31
    gamma-butyrolactone 832.36
    1-methoxy-2-propanol 603.48
    pyridine 508.23
    3-pentanone 376.57
    furfural 686.85
    n-dodecane 7.38
    diethylene glycol 495.33
    diisopropyl ether 94.66
    tert-amyl alcohol 398.22
    acetylacetone 458.08
    n-hexadecane 8.5
    acetophenone 234.46
    methyl propionate 437.07
    isopentyl acetate 160.42
    trichloroethylene 1172.39
    n-nonanol 90.06
    cyclohexanol 356.15
    benzyl alcohol 219.15
    2-ethylhexanol 108.84
    isooctanol 68.94
    dipropyl ether 124.62
    1,2-dichlorobenzene 247.46
    ethyl lactate 148.38
    propylene carbonate 402.18
    n-methylformamide 675.51
    2-pentanol 230.41
    n-pentane 34.39
    1-propoxy-2-propanol 231.93
    1-methoxy-2-propyl acetate 224.85
    2-(2-methoxypropoxy) propanol 242.59
    mesitylene 71.78
    ε-caprolactone 502.19
    p-cymene 51.25
    epichlorohydrin 876.42
    1,1,1-trichloroethane 582.63
    2-aminoethanol 552.23
    morpholine-4-carbaldehyde 867.28
    sulfolane 908.07
    2,2,4-trimethylpentane 23.19
    2-methyltetrahydrofuran 625.8
    n-hexyl acetate 203.25
    isooctane 14.21
    2-(2-butoxyethoxy)ethanol 324.42
    sec-butyl acetate 137.7
    tert-butyl acetate 233.65
    decalin 31.85
    glycerin 641.43
    diglyme 610.92
    acrylic acid 656.55
    isopropyl myristate 75.93
    n-butyric acid 472.6
    acetyl acetate 323.51
    di(2-ethylhexyl) phthalate 86.77
    ethyl propionate 207.57
    nitromethane 1560.51
    1,2-diethoxyethane 261.3
    benzonitrile 244.84
    trioctyl phosphate 60.34
    1-bromopropane 313.99
    gamma-valerolactone 866.91
    n-decanol 65.86
    triethyl phosphate 98.14
    4-methyl-2-pentanol 121.26
    propionitrile 401.06
    vinylene carbonate 389.45
    1,1,2-trichlorotrifluoroethane 729.54
    DMS 258.21
    cumene 66.06
    2-octanol 55.87
    2-hexanone 227.38
    octyl acetate 101.32
    limonene 79.93
    1,2-dimethoxyethane 709.66
    ethyl orthosilicate 92.16
    tributyl phosphate 85.32
    diacetone alcohol 316.8
    N,N-dimethylaniline 175.06
    acrylonitrile 495.1
    aniline 312.08
    1,3-propanediol 533.56
    bromobenzene 247.95
    dibromomethane 577.3
    1,1,2,2-tetrachloroethane 907.77
    2-methyl-cyclohexyl acetate 135.28
    tetrabutyl urea 105.72
    diisobutyl methanol 63.4
    2-phenylethanol 172.59
    styrene 111.36
    dioctyl adipate 122.51
    dimethyl sulfate 432.36
    ethyl butyrate 134.79
    methyl lactate 283.34
    butyl lactate 117.43
    diethyl carbonate 116.51
    propanediol butyl ether 237.12
    triethyl orthoformate 109.15
    p-tert-butyltoluene 52.06
    methyl 4-tert-butylbenzoate 188.08
    morpholine 1028.26
    tert-butylamine 309.05
    n-dodecanol 50.83
    dimethoxymethane 585.02
    ethylene carbonate 325.27
    cyrene 252.42
    2-ethoxyethyl acetate 199.79
    2-ethylhexyl acetate 127.87
    1,2,4-trichlorobenzene 335.48
    4-methylpyridine 458.95
    dibutyl ether 111.77
    2,6-dimethyl-4-heptanol 63.4
    DEF 486.71
    dimethyl isosorbide 328.44
    tetrachloroethylene 580.35
    eugenol 179.72
    triacetin 272.58
    span 80 190.86
    1,4-butanediol 232.36
    1,1-dichloroethane 660.95
    2-methyl-1-pentanol 210.43
    methyl formate 523.42
    2-methyl-1-butanol 309.53
    n-decane 12.42
    butyronitrile 318.75
    3,7-dimethyl-1-octanol 108.26
    1-chlorooctane 65.14
    1-chlorotetradecane 26.92
    n-nonane 11.99
    undecane 9.2
    tert-butylcyclohexane 30.73
    cyclooctane 16.23
    cyclopentanol 355.11
    tetrahydropyran 660.39
    tert-amyl methyl ether 284.99
    2,5,8-trioxanonane 409.27
    1-hexene 131.92
    2-isopropoxyethanol 309.39
    2,2,2-trifluoroethanol 453.87
    methyl butyrate 250.76

    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