2-Propanone, 1-(1-oxopropoxy)-

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  • Identifiers

    CAS number
    72845-79-5

    Molecular formula
    C6H10O3

    SMILES
    CCC(=O)OCC(=O)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 93.9%
    Caramellic 74.1%
    Sweet 65.94%
    Ethereal 53.29%
    Buttery 48.87%
    Winey 46.62%
    Nutty 43.43%
    Rummy 42.8%
    Creamy 38.25%
    Apple 37.76%

     

    Flavor
    Fruity 86.47%
    Sweet 69.43%
    Green 46.0%
    Apple 40.98%
    Floral 37.46%
    Pineapple 36.85%
    Berry 35.21%
    Creamy 33.39%
    Rum 31.75%
    Tropical 31.52%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.3

    pKa est.
    7.63 (neutral)

    Molecular weight
    130.14 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    169°C

    Flash point

    • 62.22 ˚C est.

  • Synonyms

    • 2-Propanone, 1-(1-oxopropoxy)-
    • 72845-79-5
    • DTXSID7072620
    • RefChem:478548
    • DTXCID5047370
    • 2-oxopropyl propanoate
    • Acetol propionate
    • propionyloxyacetone
    • 1-(Propionyloxy)-2-propanon
    • SCHEMBL946642
    • SCHEMBL11428897
    • SCHEMBL28623920
    • DB-270778
    • 2-PROPANONE, 1-(2,5-DIHYDRO-2-FURANYL)-,(R)-
    • 72845-79-5

  • Applications

    2-Propanone, 1-(1-oxopropoxy)- is an acetone-derived compound used primarily as an organic synthesis intermediate and a specialty solvent in industrial manufacturing. Real-world applications include acting as an intermediate to prepare esters and complex ethers; serving as a solvent for coatings, inks, and adhesives in the coatings and adhesives sector; functioning as a precursor or reactive intermediate in polymer and plastics production; participating in pharmaceutical and specialty chemical syntheses as a precursor or reagent; and providing a processing or cleaning solvent in industrial workflows, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1017.24
    methanol 1760.09
    isopropanol 748.52
    water 117.8
    ethyl acetate 347.81
    n-propanol 612.84
    acetone 758.31
    n-butanol 534.94
    acetonitrile 950.53
    DMF 1148.53
    toluene 170.74
    isobutanol 446.54
    1,4-dioxane 903.99
    methyl acetate 564.66
    THF 695.77
    2-butanone 541.75
    n-pentanol 408.1
    sec-butanol 607.16
    n-hexane 54.34
    ethylene glycol 337.65
    NMP 863.22
    cyclohexane 69.45
    DMSO 1079.64
    n-butyl acetate 229.55
    n-octanol 210.2
    chloroform 789.97
    n-propyl acetate 237.68
    acetic acid 908.33
    dichloromethane 1131.08
    cyclohexanone 520.57
    propylene glycol 298.32
    isopropyl acetate 175.91
    DMAc 1198.89
    2-ethoxyethanol 678.98
    isopentanol 421.35
    n-heptane 33.62
    ethyl formate 588.17
    1,2-dichloroethane 546.86
    n-hexanol 268.36
    2-methoxyethanol 1058.8
    isobutyl acetate 133.41
    tetrachloromethane 121.84
    n-pentyl acetate 163.2
    transcutol 886.2
    n-heptanol 149.34
    ethylbenzene 157.67
    MIBK 177.06
    2-propoxyethanol 445.54
    tert-butanol 811.94
    MTBE 458.53
    2-butoxyethanol 298.83
    propionic acid 495.59
    o-xylene 173.83
    formic acid 709.43
    diethyl ether 375.4
    m-xylene 116.11
    p-xylene 245.22
    chlorobenzene 251.64
    dimethyl carbonate 148.4
    n-octane 21.26
    formamide 870.42
    cyclopentanone 542.65
    2-pentanone 319.89
    anisole 334.77
    cyclopentyl methyl ether 268.51
    gamma-butyrolactone 698.61
    1-methoxy-2-propanol 545.54
    pyridine 584.51
    3-pentanone 259.1
    furfural 856.14
    n-dodecane 22.14
    diethylene glycol 401.44
    diisopropyl ether 85.17
    tert-amyl alcohol 662.31
    acetylacetone 321.19
    n-hexadecane 23.46
    acetophenone 324.5
    methyl propionate 314.03
    isopentyl acetate 198.74
    trichloroethylene 854.12
    n-nonanol 170.25
    cyclohexanol 373.6
    benzyl alcohol 342.78
    2-ethylhexanol 167.63
    isooctanol 124.02
    dipropyl ether 149.14
    1,2-dichlorobenzene 238.53
    ethyl lactate 150.52
    propylene carbonate 385.59
    n-methylformamide 804.71
    2-pentanol 308.03
    n-pentane 56.25
    1-propoxy-2-propanol 264.3
    1-methoxy-2-propyl acetate 167.51
    2-(2-methoxypropoxy) propanol 298.62
    mesitylene 76.82
    ε-caprolactone 480.13
    p-cymene 86.44
    epichlorohydrin 717.03
    1,1,1-trichloroethane 375.55
    2-aminoethanol 511.42
    morpholine-4-carbaldehyde 915.93
    sulfolane 671.45
    2,2,4-trimethylpentane 35.8
    2-methyltetrahydrofuran 541.53
    n-hexyl acetate 252.19
    isooctane 18.53
    2-(2-butoxyethoxy)ethanol 357.86
    sec-butyl acetate 146.2
    tert-butyl acetate 173.44
    decalin 42.21
    glycerin 372.62
    diglyme 685.41
    acrylic acid 456.68
    isopropyl myristate 101.79
    n-butyric acid 472.7
    acetyl acetate 217.17
    di(2-ethylhexyl) phthalate 119.73
    ethyl propionate 214.19
    nitromethane 1226.17
    1,2-diethoxyethane 317.76
    benzonitrile 431.93
    trioctyl phosphate 88.1
    1-bromopropane 322.63
    gamma-valerolactone 788.08
    n-decanol 126.43
    triethyl phosphate 117.6
    4-methyl-2-pentanol 161.47
    propionitrile 528.74
    vinylene carbonate 432.23
    1,1,2-trichlorotrifluoroethane 564.12
    DMS 187.17
    cumene 114.76
    2-octanol 122.03
    2-hexanone 285.24
    octyl acetate 142.23
    limonene 120.11
    1,2-dimethoxyethane 1098.58
    ethyl orthosilicate 108.67
    tributyl phosphate 113.43
    diacetone alcohol 264.74
    N,N-dimethylaniline 272.09
    acrylonitrile 678.42
    aniline 276.04
    1,3-propanediol 624.47
    bromobenzene 222.3
    dibromomethane 645.78
    1,1,2,2-tetrachloroethane 623.68
    2-methyl-cyclohexyl acetate 159.29
    tetrabutyl urea 163.36
    diisobutyl methanol 94.62
    2-phenylethanol 213.89
    styrene 195.1
    dioctyl adipate 166.27
    dimethyl sulfate 239.19
    ethyl butyrate 206.78
    methyl lactate 186.05
    butyl lactate 144.7
    diethyl carbonate 169.23
    propanediol butyl ether 276.39
    triethyl orthoformate 140.3
    p-tert-butyltoluene 78.27
    methyl 4-tert-butylbenzoate 224.77
    morpholine 897.83
    tert-butylamine 506.55
    n-dodecanol 97.81
    dimethoxymethane 503.31
    ethylene carbonate 333.89
    cyrene 262.98
    2-ethoxyethyl acetate 216.64
    2-ethylhexyl acetate 153.97
    1,2,4-trichlorobenzene 277.97
    4-methylpyridine 627.73
    dibutyl ether 186.3
    2,6-dimethyl-4-heptanol 94.62
    DEF 547.07
    dimethyl isosorbide 352.65
    tetrachloroethylene 422.92
    eugenol 252.45
    triacetin 250.91
    span 80 219.22
    1,4-butanediol 316.27
    1,1-dichloroethane 525.95
    2-methyl-1-pentanol 361.28
    methyl formate 645.92
    2-methyl-1-butanol 425.24
    n-decane 32.47
    butyronitrile 547.99
    3,7-dimethyl-1-octanol 186.42
    1-chlorooctane 110.19
    1-chlorotetradecane 50.1
    n-nonane 33.04
    undecane 25.54
    tert-butylcyclohexane 40.93
    cyclooctane 21.58
    cyclopentanol 420.35
    tetrahydropyran 554.64
    tert-amyl methyl ether 349.05
    2,5,8-trioxanonane 491.43
    1-hexene 186.42
    2-isopropoxyethanol 385.96
    2,2,2-trifluoroethanol 344.3
    methyl butyrate 359.65

    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