1-Phenoxy-2-propanone

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  • Identifiers

    CAS number
    621-87-4

    Molecular formula
    C9H10O2

    SMILES
    CC(=O)COC1=CC=CC=C1

    Safety labels

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 68.17%
    Floral 61.24%
    Fruity 57.3%
    Green 45.63%
    Balsamic 41.69%
    Woody 37.36%
    Vanilla 36.77%
    Spicy 36.68%
    Honey 36.55%
    Powdery 35.87%

     

    Flavor
    Sweet 85.15%
    Fruity 69.37%
    Balsam 47.43%
    Floral 46.88%
    Cherry 43.5%
    Spicy 41.06%
    Almond 39.7%
    Vanilla 36.79%
    Powdery 35.76%
    Berry 32.2%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.0

    pKa est.
    7.37 (neutral)

    Molecular weight
    150.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    227°C

    Flash point

    • 95.07 ˚C est.

  • Synonyms

    • Phenoxyacetone
    • 621-87-4
    • 2-Propanone, 1-phenoxy-
    • 1-Phenoxyacetone
    • 1-Phenoxy-2-propanone
    • Phenoxymethyl methyl ketone
    • AI3-10571
    • ZKT38MGG38
    • NSC-1876
    • DTXSID3060740
    • RefChem:861525
    • DTXCID3043235
    • 210-712-5
    • 1-phenoxypropan-2-one
    • Phenoxy-2-propanone
    • 1-phenoxy-propan-2-one
    • MFCD00008767
    • NSC 1876
    • EINECS 210-712-5
    • Phenoxyaceton
    • phenoxy acetone
    • 1-(phenoxy)propan-2-one
    • UNII-ZKT38MGG38
    • SCHEMBL7746
    • Phenoxy-2-propanone, 97%
    • orb1305286
    • SCHEMBL3169853
    • SCHEMBL3174049
    • SCHEMBL9654634
    • SCHEMBL10561522
    • SCHEMBL11735049
    • SCHEMBL11850746
    • SCHEMBL27891004
    • QWAVNXZAQASOML-UHFFFAOYSA-
    • NSC1876
    • AKOS005207146
    • EBC-618085
    • SY049061
    • DB-329011
    • HY-116792
    • CS-0066530
    • NS00034955
    • P0112
    • ST50824210
    • EN300-96800
    • F238780
    • Q63399121
    • InChI=1/C9H10O2/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6H,7H2,1H3
    • 621-87-4

  • Applications

    1-Phenoxy-2-propanone (phenoxyacetone) is primarily used as a fragrance ingredient and odorant in perfumery, contributing floral and fresh notes and serving as an aroma component in cosmetics and personal care formulations. It also functions as a synthetic building block for the synthesis of other aroma chemicals and related fine chemicals in industrial manufacturing. In coatings, inks, and cleaning formulations, it can act as a solvent or processing aid due to its ketone functionality. The compound may be used as an intermediate in pharmaceutical or agrochemical syntheses, subject to formulation constraints and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 789.35
    methanol 998.85
    isopropanol 516.92
    water 13.27
    ethyl acetate 487.55
    n-propanol 471.43
    acetone 753.99
    n-butanol 387.71
    acetonitrile 799.99
    DMF 724.19
    toluene 122.13
    isobutanol 319.9
    1,4-dioxane 883.82
    methyl acetate 639.15
    THF 589.86
    2-butanone 520.44
    n-pentanol 278.92
    sec-butanol 403.36
    n-hexane 42.63
    ethylene glycol 370.29
    NMP 441.07
    cyclohexane 55.83
    DMSO 1038.81
    n-butyl acetate 268.28
    n-octanol 160.44
    chloroform 1178.7
    n-propyl acetate 283.64
    acetic acid 799.35
    dichloromethane 1176.34
    cyclohexanone 435.92
    propylene glycol 368.77
    isopropyl acetate 195.68
    DMAc 759.85
    2-ethoxyethanol 583.3
    isopentanol 305.91
    n-heptane 38.15
    ethyl formate 349.13
    1,2-dichloroethane 566.38
    n-hexanol 250.29
    2-methoxyethanol 843.69
    isobutyl acetate 157.4
    tetrachloromethane 112.02
    n-pentyl acetate 130.94
    transcutol 1544.63
    n-heptanol 112.66
    ethylbenzene 113.93
    MIBK 176.23
    2-propoxyethanol 407.85
    tert-butanol 601.52
    MTBE 375.82
    2-butoxyethanol 228.41
    propionic acid 494.68
    o-xylene 110.63
    formic acid 336.86
    diethyl ether 405.07
    m-xylene 89.81
    p-xylene 150.78
    chlorobenzene 216.72
    dimethyl carbonate 164.61
    n-octane 16.43
    formamide 494.98
    cyclopentanone 461.77
    2-pentanone 313.24
    anisole 306.43
    cyclopentyl methyl ether 244.07
    gamma-butyrolactone 540.93
    1-methoxy-2-propanol 494.88
    pyridine 454.06
    3-pentanone 267.2
    furfural 554.64
    n-dodecane 18.13
    diethylene glycol 463.56
    diisopropyl ether 85.64
    tert-amyl alcohol 449.92
    acetylacetone 349.03
    n-hexadecane 19.59
    acetophenone 262.23
    methyl propionate 331.28
    isopentyl acetate 213.51
    trichloroethylene 1011.45
    n-nonanol 132.82
    cyclohexanol 284.65
    benzyl alcohol 236.21
    2-ethylhexanol 162.2
    isooctanol 95.87
    dipropyl ether 197.73
    1,2-dichlorobenzene 209.5
    ethyl lactate 173.85
    propylene carbonate 323.59
    n-methylformamide 429.32
    2-pentanol 247.84
    n-pentane 33.21
    1-propoxy-2-propanol 285.63
    1-methoxy-2-propyl acetate 232.32
    2-(2-methoxypropoxy) propanol 308.85
    mesitylene 63.5
    ε-caprolactone 361.67
    p-cymene 75.76
    epichlorohydrin 659.5
    1,1,1-trichloroethane 458.69
    2-aminoethanol 463.66
    morpholine-4-carbaldehyde 620.83
    sulfolane 587.81
    2,2,4-trimethylpentane 25.54
    2-methyltetrahydrofuran 426.7
    n-hexyl acetate 232.33
    isooctane 16.24
    2-(2-butoxyethoxy)ethanol 402.81
    sec-butyl acetate 166.56
    tert-butyl acetate 199.3
    decalin 35.72
    glycerin 441.72
    diglyme 726.17
    acrylic acid 445.22
    isopropyl myristate 98.63
    n-butyric acid 449.21
    acetyl acetate 289.92
    di(2-ethylhexyl) phthalate 99.9
    ethyl propionate 242.73
    nitromethane 1026.78
    1,2-diethoxyethane 381.61
    benzonitrile 272.01
    trioctyl phosphate 71.96
    1-bromopropane 315.87
    gamma-valerolactone 540.68
    n-decanol 104.79
    triethyl phosphate 120.93
    4-methyl-2-pentanol 130.16
    propionitrile 438.28
    vinylene carbonate 334.79
    1,1,2-trichlorotrifluoroethane 552.77
    DMS 236.18
    cumene 83.92
    2-octanol 81.09
    2-hexanone 286.14
    octyl acetate 126.77
    limonene 107.52
    1,2-dimethoxyethane 817.42
    ethyl orthosilicate 114.44
    tributyl phosphate 98.65
    diacetone alcohol 277.21
    N,N-dimethylaniline 200.68
    acrylonitrile 515.52
    aniline 226.09
    1,3-propanediol 493.07
    bromobenzene 211.81
    dibromomethane 696.97
    1,1,2,2-tetrachloroethane 794.97
    2-methyl-cyclohexyl acetate 163.61
    tetrabutyl urea 129.37
    diisobutyl methanol 95.98
    2-phenylethanol 187.88
    styrene 150.42
    dioctyl adipate 159.1
    dimethyl sulfate 256.11
    ethyl butyrate 225.66
    methyl lactate 205.69
    butyl lactate 134.63
    diethyl carbonate 187.67
    propanediol butyl ether 302.08
    triethyl orthoformate 156.03
    p-tert-butyltoluene 70.18
    methyl 4-tert-butylbenzoate 198.59
    morpholine 807.74
    tert-butylamine 350.0
    n-dodecanol 84.56
    dimethoxymethane 390.14
    ethylene carbonate 265.37
    cyrene 226.61
    2-ethoxyethyl acetate 216.51
    2-ethylhexyl acetate 165.89
    1,2,4-trichlorobenzene 266.45
    4-methylpyridine 361.54
    dibutyl ether 195.13
    2,6-dimethyl-4-heptanol 95.98
    DEF 416.93
    dimethyl isosorbide 332.99
    tetrachloroethylene 506.7
    eugenol 209.69
    triacetin 287.43
    span 80 219.53
    1,4-butanediol 253.73
    1,1-dichloroethane 577.76
    2-methyl-1-pentanol 251.94
    methyl formate 380.59
    2-methyl-1-butanol 296.8
    n-decane 27.85
    butyronitrile 388.79
    3,7-dimethyl-1-octanol 152.74
    1-chlorooctane 103.41
    1-chlorotetradecane 45.01
    n-nonane 26.78
    undecane 21.94
    tert-butylcyclohexane 36.42
    cyclooctane 18.38
    cyclopentanol 270.43
    tetrahydropyran 520.83
    tert-amyl methyl ether 253.75
    2,5,8-trioxanonane 506.68
    1-hexene 164.44
    2-isopropoxyethanol 363.2
    2,2,2-trifluoroethanol 276.0
    methyl butyrate 330.51

    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