Naphthyl phenyl ketone

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  • Identifiers

    CAS number
    642-29-5

    Molecular formula
    C17H12O

    SMILES
    C1=CC=C(C=C1)C(=O)C2=CC=CC3=CC=CC=C32

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 70.94%
    Balsamic 54.56%
    Rose 45.0%
    Neroli 39.84%
    Herbal 38.87%
    Geranium 35.76%
    Metallic 32.66%
    Honey 31.9%
    Orange 31.26%
    Powdery 29.58%

     

    Flavor
    Bitter 60.86%
    Balsam 41.21%
    Rose 36.19%
    Geranium 34.58%
    Honey 29.3%
    Apricot 28.99%
    Peach 27.51%
    Animal 25.26%
    Metallic 23.89%
    Moth ball 23.24%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.5

    pKa est.
    7.25 (neutral)

    Molecular weight
    232.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    409°C

    Flash point

    • 187.83 ˚C est.

  • Synonyms

    • 1-Benzoylnaphthalene
    • 642-29-5
    • 1-NAPHTHYL PHENYL KETONE
    • naphthalen-1-yl(phenyl)methanone
    • Benzoylnaphthalene
    • Naphthyl phenyl ketone
    • (naphthalen-1-yl)(phenyl)methanone
    • alpha-BENZOYLNAPHTHALENE
    • Methanone, 1-naphthalenylphenyl-
    • 1-naphthyl(phenyl)methanone
    • 7T55R2BB8X
    • AI3-04214
    • 1-NAPHTHOPHENONE
    • NSC-6729
    • EINECS 211-382-5
    • MLS002637931
    • PHENYL 1-NAPHTHYL KETONE
    • .ALPHA.-BENZOYLNAPHTHALENE
    • DTXSID80214401
    • KETONE, 1-NAPHTHYL PHENYL
    • 1-NAPHTHALENYLPHENYLMETHANONE
    • NSC 6729
    • .ALPHA.-NAPHTHYL PHENYL KETONE
    • (1-NAPHTHALENYL)PHENYL METHANONE
    • naphthylphenylketone
    • MFCD00046431
    • UNII-7T55R2BB8X
    • SCHEMBL547632
    • 1-naphthyl-1-phenyl methanone
    • Napthalen-1-yl-phenyl-methanone
    • CHEMBL1709527
    • Naphthalen-1-yl-phenyl-methanone
    • DTXCID40136892
    • NSC6729
    • HMS3093G06
    • AAA64229
    • ALPHA-NAPHTHYL PHENYL KETONE
    • AKOS005920031
    • AS-76288
    • BP-12673
    • SMR001547442
    • DB-054630
    • CS-0259397
    • NS00035658
    • EN300-73199
    • G22170
    • AE-641/00364022
    • Z277468154
    • 211-382-5

  • Applications

    Naphthyl phenyl ketone (CAS 642-29-5) is primarily used as an aromatic ketone intermediate in organic synthesis. In practice, it is commonly employed in the fragrance and cosmetics sectors as an aroma component and as a building block for the synthesis of more complex fragrance compounds. It also serves as a chemical building block in the preparation of dyes and pigments, and in polymer and coating formulations where aryl ketone intermediates are needed. In industrial settings, it may be handled as a starting material or component for research and development of fragrance products, dyes, or specialty chemicals, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 17.43
    methanol 14.34
    isopropanol 11.38
    water 0.16
    ethyl acetate 114.12
    n-propanol 19.46
    acetone 154.24
    n-butanol 20.02
    acetonitrile 70.66
    DMF 534.07
    toluene 73.98
    isobutanol 16.26
    1,4-dioxane 237.92
    methyl acetate 138.19
    THF 289.82
    2-butanone 166.9
    n-pentanol 19.81
    sec-butanol 13.28
    n-hexane 5.42
    ethylene glycol 4.43
    NMP 269.61
    cyclohexane 7.46
    DMSO 86.1
    n-butyl acetate 115.92
    n-octanol 25.54
    chloroform 306.24
    n-propyl acetate 110.38
    acetic acid 53.79
    dichloromethane 404.33
    cyclohexanone 279.12
    propylene glycol 4.48
    isopropyl acetate 86.65
    DMAc 383.88
    2-ethoxyethanol 39.55
    isopentanol 22.76
    n-heptane 7.49
    ethyl formate 98.22
    1,2-dichloroethane 466.23
    n-hexanol 28.22
    2-methoxyethanol 60.85
    isobutyl acetate 89.61
    tetrachloromethane 18.74
    n-pentyl acetate 93.45
    transcutol 294.2
    n-heptanol 24.07
    ethylbenzene 74.3
    MIBK 86.56
    2-propoxyethanol 61.04
    tert-butanol 17.32
    MTBE 38.3
    2-butoxyethanol 52.69
    propionic acid 42.58
    o-xylene 50.47
    formic acid 13.07
    diethyl ether 74.74
    m-xylene 45.0
    p-xylene 76.22
    chlorobenzene 143.44
    dimethyl carbonate 123.53
    n-octane 6.03
    formamide 63.31
    cyclopentanone 359.0
    2-pentanone 127.48
    anisole 159.5
    cyclopentyl methyl ether 99.81
    gamma-butyrolactone 366.49
    1-methoxy-2-propanol 43.14
    pyridine 414.45
    3-pentanone 118.08
    furfural 361.88
    n-dodecane 4.24
    diethylene glycol 32.52
    diisopropyl ether 24.22
    tert-amyl alcohol 17.38
    acetylacetone 201.67
    n-hexadecane 5.22
    acetophenone 168.64
    methyl propionate 120.01
    isopentyl acetate 112.66
    trichloroethylene 879.22
    n-nonanol 25.93
    cyclohexanol 25.06
    benzyl alcohol 64.76
    2-ethylhexanol 30.53
    isooctanol 24.45
    dipropyl ether 66.51
    1,2-dichlorobenzene 173.98
    ethyl lactate 37.91
    propylene carbonate 194.25
    n-methylformamide 127.72
    2-pentanol 14.27
    n-pentane 2.47
    1-propoxy-2-propanol 45.96
    1-methoxy-2-propyl acetate 111.8
    2-(2-methoxypropoxy) propanol 63.83
    mesitylene 32.66
    ε-caprolactone 222.04
    p-cymene 36.17
    epichlorohydrin 507.56
    1,1,1-trichloroethane 177.3
    2-aminoethanol 9.94
    morpholine-4-carbaldehyde 277.64
    sulfolane 260.28
    2,2,4-trimethylpentane 2.86
    2-methyltetrahydrofuran 134.33
    n-hexyl acetate 117.69
    isooctane 2.62
    2-(2-butoxyethoxy)ethanol 80.62
    sec-butyl acetate 80.06
    tert-butyl acetate 87.79
    decalin 10.25
    glycerin 10.91
    diglyme 284.25
    acrylic acid 53.44
    isopropyl myristate 45.64
    n-butyric acid 68.89
    acetyl acetate 105.86
    di(2-ethylhexyl) phthalate 34.99
    ethyl propionate 105.53
    nitromethane 256.62
    1,2-diethoxyethane 141.35
    benzonitrile 146.36
    trioctyl phosphate 22.1
    1-bromopropane 93.63
    gamma-valerolactone 412.65
    n-decanol 18.39
    triethyl phosphate 55.04
    4-methyl-2-pentanol 15.08
    propionitrile 74.17
    vinylene carbonate 224.78
    1,1,2-trichlorotrifluoroethane 170.04
    DMS 145.26
    cumene 45.46
    2-octanol 19.42
    2-hexanone 117.24
    octyl acetate 50.7
    limonene 38.88
    1,2-dimethoxyethane 218.01
    ethyl orthosilicate 50.63
    tributyl phosphate 32.6
    diacetone alcohol 72.99
    N,N-dimethylaniline 89.49
    acrylonitrile 145.85
    aniline 68.83
    1,3-propanediol 19.46
    bromobenzene 157.16
    dibromomethane 189.53
    1,1,2,2-tetrachloroethane 489.73
    2-methyl-cyclohexyl acetate 84.03
    tetrabutyl urea 53.55
    diisobutyl methanol 24.61
    2-phenylethanol 68.2
    styrene 87.49
    dioctyl adipate 70.87
    dimethyl sulfate 143.84
    ethyl butyrate 110.16
    methyl lactate 42.51
    butyl lactate 50.42
    diethyl carbonate 81.84
    propanediol butyl ether 33.43
    triethyl orthoformate 71.81
    p-tert-butyltoluene 31.62
    methyl 4-tert-butylbenzoate 97.29
    morpholine 194.25
    tert-butylamine 11.99
    n-dodecanol 14.54
    dimethoxymethane 205.75
    ethylene carbonate 156.03
    cyrene 70.0
    2-ethoxyethyl acetate 141.42
    2-ethylhexyl acetate 93.77
    1,2,4-trichlorobenzene 190.45
    4-methylpyridine 266.95
    dibutyl ether 73.85
    2,6-dimethyl-4-heptanol 24.61
    DEF 206.35
    dimethyl isosorbide 165.21
    tetrachloroethylene 303.98
    eugenol 90.59
    triacetin 114.28
    span 80 45.27
    1,4-butanediol 8.24
    1,1-dichloroethane 165.9
    2-methyl-1-pentanol 25.79
    methyl formate 126.44
    2-methyl-1-butanol 20.33
    n-decane 7.99
    butyronitrile 63.27
    3,7-dimethyl-1-octanol 26.95
    1-chlorooctane 38.96
    1-chlorotetradecane 14.37
    n-nonane 7.21
    undecane 5.51
    tert-butylcyclohexane 9.37
    cyclooctane 3.95
    cyclopentanol 31.13
    tetrahydropyran 154.32
    tert-amyl methyl ether 34.51
    2,5,8-trioxanonane 151.82
    1-hexene 27.24
    2-isopropoxyethanol 35.11
    2,2,2-trifluoroethanol 31.92
    methyl butyrate 157.1

    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