2',5'-Dimethoxyacetophenone

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  • Identifiers

    CAS number
    1201-38-3

    Molecular formula
    C10H12O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 87.98%
    Vanilla 68.98%
    Floral 65.9%
    Powdery 55.6%
    Anisic 50.32%
    Balsamic 47.87%
    Spicy 46.91%
    Phenolic 46.75%
    Woody 44.73%
    Creamy 42.64%

     

    Flavor
    Sweet 71.76%
    Woody 60.29%
    Powdery 42.88%
    Floral 42.78%
    Vanilla 42.39%
    Spice 36.25%
    Smoky 33.67%
    Spicy 32.09%
    Creamy 31.71%
    Caramel 30.96%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    6.72 (neutral)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 114.77 ˚C est.

  • Synonyms

    • 2',5'-Dimethoxyacetophenone
    • 1201-38-3
    • 1-(2,5-Dimethoxyphenyl)ethanone
    • Ethanone, 1-(2,5-dimethoxyphenyl)-
    • 2,5-Dimethoxyacetophenone
    • Acetophenone, 2',5'-dimethoxy-
    • 1-(2,5-dimethoxyphenyl)ethan-1-one
    • MFCD00008728
    • Y79C66POM1
    • EINECS 214-858-0
    • NSC 62094
    • NSC-62094
    • DTXSID0061618
    • METHYL 2,5-DIMETHOXYPHENYL KETONE
    • 2-Acetyl-1,4-dimethoxybenzene
    • 1-(2,5-dimethoxyphenyl)-Ethanone; Acetophenone, 2',5'-dimethoxy- (6CI,7CI,8CI); 1-(2,5-Dimethoxyphenyl)ethanone; Methyl 2,5-dimethoxyphenyl ketone; NSC 62094
    • NSC62094
    • Acetophenone,5'-dimethoxy-
    • UNII-Y79C66POM1
    • 2`,5`-Dimethoxyacetophenone
    • Ethanone,5-dimethoxyphenyl)-
    • SCHEMBL885028
    • 2\',5\'-Dimethoxyacetophenone
    • DTXCID3033561
    • 1-(2,5-dimethoxy-phenyl)-ethanone
    • 1-(2,5-Dimethoxyphenyl)ethanone #
    • 2',5'-Dimethoxyacetophenone, 99%
    • AC1205
    • STL195452
    • AKOS000120312
    • FD37597
    • PS-3414
    • Acetophenone, 2',5'-dimethoxy-(8CI)
    • 2,5-Dihydroxyacetophenone, dimethyl ether
    • SY003531
    • DB-020094
    • CS-0020017
    • D1444
    • NS00023904
    • EN300-20601
    • A804538
    • doi:10.14272/FAXUIYJKGGUCBO-UHFFFAOYSA-N.1
    • F0001-0337
    • Z104479138
    • 2 inverted exclamation mark ,5 inverted exclamation mark -Dimethoxyacetophenone
    • InChI=1/C10H12O3/c1-7(11)9-6-8(12-2)4-5-10(9)13-3/h4-6H,1-3H
    • 214-858-0

  • Applications

    2',5'-Dimethoxyacetophenone is commonly used as an aroma ingredient in perfumery and cosmetics, providing a distinctive fragrance note and stability in oil-based formulations. It is often used as a fragrance intermediate in the production of perfumes and personal-care products; it may also serve as an odorant in household cleaners and other consumer goods. Additionally, the compound may be used as a synthetic intermediate in chemical manufacturing for preparing further aromatic derivatives, with potential relevance to pharmaceutical or agrochemical research. Its use should be evaluated in light of local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 80.48
    methanol 112.22
    isopropanol 63.95
    water 2.68
    ethyl acetate 201.96
    n-propanol 66.86
    acetone 193.84
    n-butanol 54.46
    acetonitrile 221.97
    DMF 279.11
    toluene 106.55
    isobutanol 48.07
    1,4-dioxane 428.18
    methyl acetate 243.77
    THF 364.24
    2-butanone 147.75
    n-pentanol 39.17
    sec-butanol 52.29
    n-hexane 8.14
    ethylene glycol 85.07
    NMP 280.16
    cyclohexane 26.93
    DMSO 319.08
    n-butyl acetate 79.91
    n-octanol 33.26
    chloroform 523.49
    n-propyl acetate 97.6
    acetic acid 154.91
    dichloromethane 578.3
    cyclohexanone 226.41
    propylene glycol 40.58
    isopropyl acetate 91.72
    DMAc 325.07
    2-ethoxyethanol 132.88
    isopentanol 47.16
    n-heptane 10.3
    ethyl formate 147.17
    1,2-dichloroethane 325.07
    n-hexanol 49.17
    2-methoxyethanol 242.25
    isobutyl acetate 61.19
    tetrachloromethane 97.28
    n-pentyl acetate 48.53
    transcutol 170.49
    n-heptanol 28.58
    ethylbenzene 66.11
    MIBK 63.73
    2-propoxyethanol 127.41
    tert-butanol 123.48
    MTBE 104.82
    2-butoxyethanol 62.37
    propionic acid 109.96
    o-xylene 84.07
    formic acid 84.91
    diethyl ether 110.3
    m-xylene 71.25
    p-xylene 82.77
    chlorobenzene 144.96
    dimethyl carbonate 114.61
    n-octane 6.49
    formamide 148.44
    cyclopentanone 262.3
    2-pentanone 99.64
    anisole 150.61
    cyclopentyl methyl ether 137.02
    gamma-butyrolactone 363.94
    1-methoxy-2-propanol 121.97
    pyridine 242.89
    3-pentanone 107.91
    furfural 339.72
    n-dodecane 7.11
    diethylene glycol 150.57
    diisopropyl ether 33.95
    tert-amyl alcohol 80.84
    acetylacetone 181.51
    n-hexadecane 8.18
    acetophenone 131.0
    methyl propionate 166.04
    isopentyl acetate 71.19
    trichloroethylene 533.23
    n-nonanol 32.48
    cyclohexanol 88.42
    benzyl alcohol 101.8
    2-ethylhexanol 38.93
    isooctanol 26.13
    dipropyl ether 56.37
    1,2-dichlorobenzene 147.86
    ethyl lactate 59.14
    propylene carbonate 193.8
    n-methylformamide 164.53
    2-pentanol 36.19
    n-pentane 7.68
    1-propoxy-2-propanol 67.96
    1-methoxy-2-propyl acetate 96.62
    2-(2-methoxypropoxy) propanol 78.68
    mesitylene 46.17
    ε-caprolactone 202.25
    p-cymene 37.81
    epichlorohydrin 406.96
    1,1,1-trichloroethane 325.62
    2-aminoethanol 75.39
    morpholine-4-carbaldehyde 335.52
    sulfolane 333.57
    2,2,4-trimethylpentane 7.63
    2-methyltetrahydrofuran 227.85
    n-hexyl acetate 72.03
    isooctane 5.0
    2-(2-butoxyethoxy)ethanol 84.36
    sec-butyl acetate 68.29
    tert-butyl acetate 98.64
    decalin 18.37
    glycerin 92.29
    diglyme 193.09
    acrylic acid 122.21
    isopropyl myristate 38.85
    n-butyric acid 106.6
    acetyl acetate 172.21
    di(2-ethylhexyl) phthalate 40.86
    ethyl propionate 107.14
    nitromethane 364.33
    1,2-diethoxyethane 82.47
    benzonitrile 129.52
    trioctyl phosphate 28.39
    1-bromopropane 121.57
    gamma-valerolactone 331.58
    n-decanol 26.62
    triethyl phosphate 64.75
    4-methyl-2-pentanol 25.15
    propionitrile 138.85
    vinylene carbonate 212.55
    1,1,2-trichlorotrifluoroethane 270.84
    DMS 113.4
    cumene 44.99
    2-octanol 22.43
    2-hexanone 77.02
    octyl acetate 46.49
    limonene 49.35
    1,2-dimethoxyethane 252.09
    ethyl orthosilicate 57.35
    tributyl phosphate 35.81
    diacetone alcohol 101.59
    N,N-dimethylaniline 100.03
    acrylonitrile 185.57
    aniline 121.18
    1,3-propanediol 99.79
    bromobenzene 158.7
    dibromomethane 314.98
    1,1,2,2-tetrachloroethane 386.69
    2-methyl-cyclohexyl acetate 74.57
    tetrabutyl urea 48.26
    diisobutyl methanol 28.59
    2-phenylethanol 83.65
    styrene 79.95
    dioctyl adipate 59.37
    dimethyl sulfate 191.33
    ethyl butyrate 83.57
    methyl lactate 86.68
    butyl lactate 39.42
    diethyl carbonate 79.82
    propanediol butyl ether 46.07
    triethyl orthoformate 64.98
    p-tert-butyltoluene 37.26
    methyl 4-tert-butylbenzoate 93.79
    morpholine 336.78
    tert-butylamine 66.3
    n-dodecanol 23.25
    dimethoxymethane 214.24
    ethylene carbonate 179.86
    cyrene 113.87
    2-ethoxyethyl acetate 83.07
    2-ethylhexyl acetate 61.4
    1,2,4-trichlorobenzene 174.87
    4-methylpyridine 208.14
    dibutyl ether 46.17
    2,6-dimethyl-4-heptanol 28.59
    DEF 154.74
    dimethyl isosorbide 160.01
    tetrachloroethylene 269.51
    eugenol 85.05
    triacetin 97.2
    span 80 55.33
    1,4-butanediol 39.1
    1,1-dichloroethane 274.5
    2-methyl-1-pentanol 41.52
    methyl formate 181.85
    2-methyl-1-butanol 46.97
    n-decane 10.33
    butyronitrile 100.98
    3,7-dimethyl-1-octanol 36.34
    1-chlorooctane 36.79
    1-chlorotetradecane 18.79
    n-nonane 9.48
    undecane 8.33
    tert-butylcyclohexane 15.13
    cyclooctane 9.51
    cyclopentanol 101.28
    tetrahydropyran 225.17
    tert-amyl methyl ether 82.24
    2,5,8-trioxanonane 146.5
    1-hexene 28.26
    2-isopropoxyethanol 86.28
    2,2,2-trifluoroethanol 110.54
    methyl butyrate 126.28

    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