1-(2,5-Dimethylphenyl)propan-1-one

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  • Identifiers

    CAS number
    35031-52-8

    Molecular formula
    C11H14O

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 71.68%
    Sweet 48.79%
    Hay 37.79%
    Powdery 37.5%
    Neroli 35.94%
    Fruity 35.1%
    Animal 34.91%
    Green 32.62%
    Nutty 30.97%
    Hawthorn 30.67%

     

    Flavor
    Woody 37.51%
    Sweet 37.02%
    Phenolic 34.88%
    Spicy 34.3%
    Floral 31.34%
    Herbal 29.71%
    Minty 29.55%
    Powdery 26.7%
    Tobacco 24.4%
    Smoky 24.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    8.24 (weak base)

    Molecular weight
    162.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    240°C

    Flash point

    • 100.34 ˚C est.

  • Synonyms

    • 1-(2,5-dimethylphenyl)propan-1-one
    • 35031-52-8
    • DTXSID90394309
    • RefChem:222952
    • DTXCID40345169
    • 2-5-dimethylpropiophenone
    • MFCD00048614
    • 1-(2,5-Dimethylphenyl)-1-propanone
    • 2',5'-Dimethylpropiophenone
    • 1-Propanone,1-(2,5-dimethylphenyl)-
    • 2',5'-dimethyl-propiophenone
    • SCHEMBL9720686
    • SCHEMBL31693367
    • ALBB-002888
    • BBL036405
    • STK500493
    • AKOS000155908
    • VS-13471
    • CS-0216032
    • EN300-322365
    • N12086
    • F313738
    • 35031-52-8

  • Applications

    1-(2,5-Dimethylphenyl)propan-1-one is a substituted propiophenone with methyl groups at positions 2 and 5, commonly considered as an intermediate for organic synthesis. In real-world practice, it is commonly evaluated as a fragrance ingredient or odorant and as a fragrance intermediate for perfumery and cosmetics, and may be used in household products to impart or adjust scent. It can function as a chemical building block in industrial manufacturing, including pharmaceutical and specialty chemical syntheses; in the polymers and plastics field, it may be a precursor to aromatic ketone components in formulations. Its use as a solvent or processing aid is possible in certain formulations, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 831.31
    methanol 658.02
    isopropanol 833.97
    water 4.16
    ethyl acetate 902.04
    n-propanol 837.81
    acetone 1421.31
    n-butanol 815.26
    acetonitrile 1502.24
    DMF 2199.17
    toluene 799.41
    isobutanol 707.18
    1,4-dioxane 1767.12
    methyl acetate 1080.42
    THF 1754.73
    2-butanone 1239.74
    n-pentanol 561.83
    sec-butanol 803.78
    n-hexane 213.1
    ethylene glycol 190.7
    NMP 1308.96
    cyclohexane 315.0
    DMSO 990.44
    n-butyl acetate 937.28
    n-octanol 553.66
    chloroform 4134.63
    n-propyl acetate 636.32
    acetic acid 473.76
    dichloromethane 4014.18
    cyclohexanone 1817.99
    propylene glycol 229.98
    isopropyl acetate 506.12
    DMAc 1261.48
    2-ethoxyethanol 533.94
    isopentanol 581.23
    n-heptane 191.22
    ethyl formate 954.41
    1,2-dichloroethane 2274.72
    n-hexanol 823.08
    2-methoxyethanol 881.8
    isobutyl acetate 403.14
    tetrachloromethane 734.82
    n-pentyl acetate 583.79
    transcutol 855.64
    n-heptanol 454.58
    ethylbenzene 603.57
    MIBK 543.95
    2-propoxyethanol 791.18
    tert-butanol 779.46
    MTBE 735.56
    2-butoxyethanol 510.88
    propionic acid 606.01
    o-xylene 581.36
    formic acid 137.59
    diethyl ether 943.3
    m-xylene 608.24
    p-xylene 735.27
    chlorobenzene 1084.42
    dimethyl carbonate 421.3
    n-octane 128.39
    formamide 300.75
    cyclopentanone 1813.01
    2-pentanone 1009.84
    anisole 807.4
    cyclopentyl methyl ether 882.31
    gamma-butyrolactone 1762.32
    1-methoxy-2-propanol 684.9
    pyridine 1549.21
    3-pentanone 823.76
    furfural 1420.67
    n-dodecane 106.83
    diethylene glycol 482.88
    diisopropyl ether 277.43
    tert-amyl alcohol 703.78
    acetylacetone 822.37
    n-hexadecane 122.32
    acetophenone 701.94
    methyl propionate 813.77
    isopentyl acetate 719.52
    trichloroethylene 3717.47
    n-nonanol 435.59
    cyclohexanol 788.72
    benzyl alcohol 563.37
    2-ethylhexanol 514.56
    isooctanol 348.33
    dipropyl ether 585.87
    1,2-dichlorobenzene 969.81
    ethyl lactate 310.51
    propylene carbonate 1067.43
    n-methylformamide 1030.04
    2-pentanol 562.63
    n-pentane 199.32
    1-propoxy-2-propanol 600.51
    1-methoxy-2-propyl acetate 594.82
    2-(2-methoxypropoxy) propanol 400.56
    mesitylene 399.25
    ε-caprolactone 1287.05
    p-cymene 365.82
    epichlorohydrin 2042.14
    1,1,1-trichloroethane 1930.88
    2-aminoethanol 339.3
    morpholine-4-carbaldehyde 1307.84
    sulfolane 1430.76
    2,2,4-trimethylpentane 99.33
    2-methyltetrahydrofuran 1348.22
    n-hexyl acetate 828.66
    isooctane 83.09
    2-(2-butoxyethoxy)ethanol 513.69
    sec-butyl acetate 412.74
    tert-butyl acetate 489.61
    decalin 187.33
    glycerin 257.91
    diglyme 955.27
    acrylic acid 500.12
    isopropyl myristate 324.23
    n-butyric acid 775.43
    acetyl acetate 493.16
    di(2-ethylhexyl) phthalate 248.58
    ethyl propionate 577.3
    nitromethane 1118.22
    1,2-diethoxyethane 663.47
    benzonitrile 1005.42
    trioctyl phosphate 223.54
    1-bromopropane 1387.53
    gamma-valerolactone 1760.05
    n-decanol 329.19
    triethyl phosphate 298.75
    4-methyl-2-pentanol 293.31
    propionitrile 1179.84
    vinylene carbonate 1104.4
    1,1,2-trichlorotrifluoroethane 845.81
    DMS 555.78
    cumene 402.45
    2-octanol 401.02
    2-hexanone 736.02
    octyl acetate 425.96
    limonene 501.65
    1,2-dimethoxyethane 1140.1
    ethyl orthosilicate 272.6
    tributyl phosphate 241.31
    diacetone alcohol 499.16
    N,N-dimethylaniline 555.6
    acrylonitrile 1383.13
    aniline 686.16
    1,3-propanediol 505.2
    bromobenzene 1267.4
    dibromomethane 2620.52
    1,1,2,2-tetrachloroethane 2617.55
    2-methyl-cyclohexyl acetate 448.65
    tetrabutyl urea 341.3
    diisobutyl methanol 270.41
    2-phenylethanol 626.46
    styrene 688.2
    dioctyl adipate 381.09
    dimethyl sulfate 570.59
    ethyl butyrate 629.39
    methyl lactate 346.99
    butyl lactate 355.63
    diethyl carbonate 449.16
    propanediol butyl ether 431.31
    triethyl orthoformate 368.07
    p-tert-butyltoluene 342.08
    methyl 4-tert-butylbenzoate 539.4
    morpholine 1601.16
    tert-butylamine 563.09
    n-dodecanol 260.97
    dimethoxymethane 1097.5
    ethylene carbonate 912.88
    cyrene 404.14
    2-ethoxyethyl acetate 571.42
    2-ethylhexyl acetate 568.46
    1,2,4-trichlorobenzene 961.13
    4-methylpyridine 1579.35
    dibutyl ether 583.57
    2,6-dimethyl-4-heptanol 270.41
    DEF 1060.16
    dimethyl isosorbide 673.07
    tetrachloroethylene 1642.75
    eugenol 486.41
    triacetin 492.5
    span 80 381.75
    1,4-butanediol 256.11
    1,1-dichloroethane 2349.76
    2-methyl-1-pentanol 474.34
    methyl formate 889.29
    2-methyl-1-butanol 642.32
    n-decane 171.62
    butyronitrile 1235.9
    3,7-dimethyl-1-octanol 398.8
    1-chlorooctane 528.91
    1-chlorotetradecane 213.25
    n-nonane 183.42
    undecane 131.66
    tert-butylcyclohexane 167.6
    cyclooctane 128.98
    cyclopentanol 809.75
    tetrahydropyran 1554.72
    tert-amyl methyl ether 566.75
    2,5,8-trioxanonane 609.22
    1-hexene 588.94
    2-isopropoxyethanol 416.3
    2,2,2-trifluoroethanol 235.25
    methyl butyrate 832.94

    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