Phenylacetone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    103-79-7

    Molecular formula
    C9H10O

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

  • Odor profile

    Fruity 80.21%
    Green 70.77%
    Sweet 62.37%
    Floral 53.64%
    Balsamic 39.95%
    Honey 39.73%
    Spicy 37.71%
    Cherry 36.63%
    Almond 34.56%
    Woody 33.5%

    Scent© AI

  • Properties

    XLogP3-AA
    1.4

    Molecular weight
    134.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Melting point expt.

    • -15.3 °C

    Boiling point

    • 214 °C

    Flash point est.
    86.72 ˚C

    Solubility expt.

    • Very soluble in ethanol, diethyl ether; miscible in benzene, xylene; soluble in chloroform

  • Synonyms

    • Phenylacetone
    • 1-phenylpropan-2-one
    • 1-Phenyl-2-propanone
    • 103-79-7
    • Benzyl methyl ketone
    • Methyl benzyl ketone
    • Phenyl-2-propanone
    • 1-Phenylacetone
    • 2-Propanone, 1-phenyl-
    • 3-Phenyl-2-propanone
    • Phenylmethyl methyl ketone
    • phenyl acetone
    • 1-phenyl-propan-2-one
    • 136675-26-8
    • EINECS 203-144-4
    • O7IZH10V9Y
    • phenyl 2-propanone
    • AI3-02938
    • NSC-9827
    • PHENYLACETONE [MI]
    • phenylaceton
    • CHEMBL3800510
    • CHEBI:52052
    • HSDB 8385
    • AMFETAMINE SULFATE IMPURITY B [EP IMPURITY]
    • NSC 9827
    • Phenylacetone, 99%
    • AMFETAMINE SULFATE IMPURITY B (EP IMPURITY)
    • UNII-O7IZH10V9Y
    • (phenyl)acetone
    • Phenyl2propanone
    • DEA No. 8501
    • alphaPhenylacetone
    • 1Phenyl2propanone
    • 1Phenylpropan2one
    • 3Phenyl2propanone
    • methylbenzyl ketone
    • 2Propanone, 1phenyl
    • 1-phenyl propanedione
    • 1-Phenylpropane-2-one
    • SCHEMBL43943
    • ghl.PD_Mitscher_leg0.660
    • DTXSID1059280
    • SCHEMBL13341529
    • NSC9827
    • Phenylacetone, analytical standard
    • BCP22277
    • BDBM50167968
    • STL373560
    • AKOS004905656
    • FP26929
    • NS00017966
    • A800807
    • Q418831
    • InChI=1/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H
    • 203-144-4

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 454.47
    methanol 515.18
    isopropanol 348.3
    water 8.23
    ethyl acetate 285.77
    n-propanol 335.86
    acetone 502.24
    n-butanol 298.03
    acetonitrile 440.08
    DMF 815.84
    toluene 155.77
    isobutanol 239.57
    1,4-dioxane 630.3
    methyl acetate 327.71
    THF 530.92
    2-butanone 338.61
    n-pentanol 195.35
    sec-butanol 264.94
    n-hexane 87.78
    ethylene glycol 268.71
    NMP 508.21
    cyclohexane 104.02
    DMSO 706.89
    n-butyl acetate 200.42
    n-octanol 181.71
    chloroform 883.87
    n-propyl acetate 156.66
    acetic acid 350.99
    dichloromethane 741.95
    cyclohexanone 431.57
    propylene glycol 287.16
    isopropyl acetate 144.89
    DMAc 575.01
    2-ethoxyethanol 265.95
    isopentanol 220.28
    n-heptane 105.15
    ethyl formate 209.79
    1,2-dichloroethane 348.35
    n-hexanol 337.9
    2-methoxyethanol 503.64
    isobutyl acetate 104.73
    tetrachloromethane 126.64
    n-pentyl acetate 115.13
    transcutol 822.58
    n-heptanol 131.58
    ethylbenzene 120.72
    MIBK 170.65
    2-propoxyethanol 431.91
    tert-butanol 354.71
    MTBE 217.16
    2-butoxyethanol 196.45
    propionic acid 320.62
    o-xylene 132.63
    formic acid 130.16
    diethyl ether 282.51
    m-xylene 131.34
    p-xylene 130.93
    chlorobenzene 178.12
    dimethyl carbonate 154.76
    n-octane 33.93
    formamide 176.19
    cyclopentanone 454.76
    2-pentanone 284.49
    anisole 256.27
    cyclopentyl methyl ether 272.0
    gamma-butyrolactone 470.01
    1-methoxy-2-propanol 403.19
    pyridine 321.08
    3-pentanone 244.35
    furfural 396.61
    n-dodecane 32.31
    diethylene glycol 394.97
    diisopropyl ether 90.92
    tert-amyl alcohol 258.13
    acetylacetone 292.37
    n-hexadecane 34.91
    acetophenone 203.8
    methyl propionate 273.18
    isopentyl acetate 158.96
    trichloroethylene 605.97
    n-nonanol 154.65
    cyclohexanol 266.84
    benzyl alcohol 181.37
    2-ethylhexanol 179.26
    isooctanol 101.39
    dipropyl ether 264.8
    1,2-dichlorobenzene 189.0
    ethyl lactate 141.19
    propylene carbonate 272.9
    n-methylformamide 334.13
    2-pentanol 199.6
    n-pentane 79.78
    1-propoxy-2-propanol 294.56
    1-methoxy-2-propyl acetate 229.88
    2-(2-methoxypropoxy) propanol 270.53
    mesitylene 84.39
    ε-caprolactone 310.33
    p-cymene 93.74
    epichlorohydrin 422.32
    1,1,1-trichloroethane 347.52
    2-aminoethanol 333.01
    morpholine-4-carbaldehyde 589.7
    sulfolane 527.96
    2,2,4-trimethylpentane 29.58
    2-methyltetrahydrofuran 352.16
    n-hexyl acetate 217.64
    isooctane 25.59
    2-(2-butoxyethoxy)ethanol 334.29
    sec-butyl acetate 106.59
    tert-butyl acetate 163.07
    decalin 53.32
    glycerin 324.26
    diglyme 534.9
    acrylic acid 302.26
    isopropyl myristate 114.77
    n-butyric acid 299.65
    acetyl acetate 177.9
    di(2-ethylhexyl) phthalate 109.16
    ethyl propionate 170.48
    nitromethane 522.3
    1,2-diethoxyethane 239.2
    benzonitrile 217.0
    trioctyl phosphate 85.45
    1-bromopropane 247.84
    gamma-valerolactone 510.32
    n-decanol 128.15
    triethyl phosphate 109.63
    4-methyl-2-pentanol 112.16
    propionitrile 307.94
    vinylene carbonate 272.65
    1,1,2-trichlorotrifluoroethane 356.58
    DMS 200.65
    cumene 97.86
    2-octanol 97.93
    2-hexanone 195.31
    octyl acetate 144.67
    limonene 140.8
    1,2-dimethoxyethane 461.16
    ethyl orthosilicate 102.27
    tributyl phosphate 98.22
    diacetone alcohol 240.23
    N,N-dimethylaniline 203.16
    acrylonitrile 344.32
    aniline 183.48
    1,3-propanediol 299.45
    bromobenzene 181.78
    dibromomethane 486.77
    1,1,2,2-tetrachloroethane 493.09
    2-methyl-cyclohexyl acetate 157.47
    tetrabutyl urea 143.53
    diisobutyl methanol 105.65
    2-phenylethanol 197.75
    styrene 137.63
    dioctyl adipate 164.35
    dimethyl sulfate 250.85
    ethyl butyrate 182.58
    methyl lactate 199.32
    butyl lactate 127.48
    diethyl carbonate 144.1
    propanediol butyl ether 247.88
    triethyl orthoformate 130.3
    p-tert-butyltoluene 90.88
    methyl 4-tert-butylbenzoate 220.74
    morpholine 574.85
    tert-butylamine 247.79
    n-dodecanol 107.39
    dimethoxymethane 394.95
    ethylene carbonate 214.62
    cyrene 217.0
    2-ethoxyethyl acetate 165.62
    2-ethylhexyl acetate 131.05
    1,2,4-trichlorobenzene 211.34
    4-methylpyridine 282.66
    dibutyl ether 179.85
    2,6-dimethyl-4-heptanol 105.65
    DEF 327.15
    dimethyl isosorbide 352.85
    tetrachloroethylene 308.33
    eugenol 210.4
    triacetin 248.02
    span 80 236.79
    1,4-butanediol 162.78
    1,1-dichloroethane 386.01
    2-methyl-1-pentanol 158.0
    methyl formate 276.82
    2-methyl-1-butanol 211.32
    n-decane 48.02
    butyronitrile 282.35
    3,7-dimethyl-1-octanol 154.1
    1-chlorooctane 133.98
    1-chlorotetradecane 65.24
    n-nonane 52.34
    undecane 37.98
    tert-butylcyclohexane 49.78
    cyclooctane 42.09
    cyclopentanol 263.77
    tetrahydropyran 438.21
    tert-amyl methyl ether 174.85
    2,5,8-trioxanonane 432.01
    1-hexene 179.22
    2-isopropoxyethanol 195.56
    2,2,2-trifluoroethanol 142.15
    methyl butyrate 210.36

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
Phenyl acetone should not be used as a fragrance ingredient.

Botanical

Name CAS Botanical Proportion
Styrax (China) 8024-01-9 Liquidamber formosana Hance, fam. Hamamelidaceae 0.15%
Carlina acaulis root Carlina acaulis L., fam. Asteraceae (Compositae) 0.2%
Kewda (India) Pandanus fascicularis Lam., var. fascilarris, fam. Pandanaceae 0.01%
Chicory root, roasted 1a 68650-43-1 Cichorium intybus L., fam. Asteraceae (Compositae) 0.02%