Methanone, 2-naphthalenylphenyl-

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  • Identifiers

    CAS number
    644-13-3

    Molecular formula
    C17H12O

    SMILES
    C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3C=C2

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 70.28%
    Balsamic 57.17%
    Rose 46.03%
    Herbal 41.3%
    Neroli 37.58%
    Geranium 36.28%
    Metallic 33.77%
    Honey 31.97%
    Powdery 30.66%
    Orange 29.44%

     

    Flavor
    Bitter 55.0%
    Balsam 50.59%
    Rose 43.98%
    Geranium 38.88%
    Honey 34.14%
    Apricot 34.03%
    Peach 33.01%
    Metallic 26.51%
    Animal 25.8%
    Powdery 25.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    6.93 (neutral)

    Molecular weight
    232.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    411°C

    Flash point

    • 188.59 ˚C est.

  • Synonyms

    • 2-Naphthyl phenyl ketone
    • 644-13-3
    • 2-Benzoylnaphthalene
    • naphthalen-2-yl(phenyl)methanone
    • 2-Benzonaphthone
    • Methanone, 2-naphthalenylphenyl-
    • 2'-Benzonaphthone
    • Ketone, 2-naphthyl phenyl
    • beta-Benzoylnaphthalene
    • (naphthalen-2-yl)(phenyl)methanone
    • 2-Naphthyl(phenyl)methanone
    • NSC 5190
    • .beta.-Benzoylnaphthalene
    • EINECS 211-410-6
    • RM48ZB8PA6
    • MLS002637798
    • DTXSID50883522
    • NSC-5190
    • MFCD00004106
    • 2-Benzoyl-naphthalin
    • Phenyl 2-naphthyl ketone
    • UNII-RM48ZB8PA6
    • 2-Naphthalenylphenylmethanone
    • .beta.-Naphthyl phenyl ketone
    • SCHEMBL124894
    • 2-Naphthyl(phenyl)methanone #
    • CHEMBL1712642
    • NSC5190
    • DTXCID601023049
    • HMS3085M17
    • AKOS009159522
    • RS-1030
    • SB66853
    • SMR001547315
    • DB-054655
    • B0301
    • CS-0156554
    • NS00041767
    • D88626
    • AG-205/01892005
    • 211-410-6
    • InChI=1/C17H12O/c18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h1-12

  • Applications

    Methanone, 2-naphthalenylphenyl-, CAS 644-13-3, is a diaryl ketone used as a UV-curing photoinitiator or sensitizer in coatings, inks, and adhesives; it serves as a synthetic intermediate in the preparation of dyes and pigments and as building blocks for pharmaceutical and agrochemical compounds; it can function as a fragrance ingredient or odorant in perfumery; it also serves as a precursor for specialty polymers and materials used in electronics and coatings; and it is employed as a research reagent in organic synthesis and advanced materials development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 10.43
    methanol 9.74
    isopropanol 6.1
    water 0.11
    ethyl acetate 111.85
    n-propanol 10.97
    acetone 105.47
    n-butanol 11.86
    acetonitrile 55.1
    DMF 277.46
    toluene 60.72
    isobutanol 8.88
    1,4-dioxane 189.11
    methyl acetate 116.47
    THF 249.98
    2-butanone 126.94
    n-pentanol 12.36
    sec-butanol 8.27
    n-hexane 3.42
    ethylene glycol 2.71
    NMP 160.61
    cyclohexane 3.28
    DMSO 66.0
    n-butyl acetate 112.18
    n-octanol 13.12
    chloroform 227.38
    n-propyl acetate 103.93
    acetic acid 44.1
    dichloromethane 347.08
    cyclohexanone 185.41
    propylene glycol 2.91
    isopropyl acetate 87.27
    DMAc 260.5
    2-ethoxyethanol 36.08
    isopentanol 14.96
    n-heptane 4.48
    ethyl formate 66.5
    1,2-dichloroethane 387.71
    n-hexanol 16.53
    2-methoxyethanol 46.76
    isobutyl acetate 78.34
    tetrachloromethane 13.27
    n-pentyl acetate 72.3
    transcutol 416.53
    n-heptanol 13.28
    ethylbenzene 64.37
    MIBK 74.87
    2-propoxyethanol 49.41
    tert-butanol 11.51
    MTBE 34.31
    2-butoxyethanol 38.62
    propionic acid 32.12
    o-xylene 42.99
    formic acid 11.25
    diethyl ether 64.68
    m-xylene 39.34
    p-xylene 64.12
    chlorobenzene 101.46
    dimethyl carbonate 107.95
    n-octane 3.04
    formamide 56.95
    cyclopentanone 259.18
    2-pentanone 101.74
    anisole 168.79
    cyclopentyl methyl ether 79.08
    gamma-butyrolactone 295.01
    1-methoxy-2-propanol 34.16
    pyridine 297.07
    3-pentanone 101.22
    furfural 287.97
    n-dodecane 2.23
    diethylene glycol 27.33
    diisopropyl ether 23.0
    tert-amyl alcohol 13.4
    acetylacetone 204.31
    n-hexadecane 2.76
    acetophenone 166.03
    methyl propionate 108.29
    isopentyl acetate 110.7
    trichloroethylene 774.08
    n-nonanol 14.51
    cyclohexanol 12.69
    benzyl alcohol 50.15
    2-ethylhexanol 21.28
    isooctanol 14.99
    dipropyl ether 59.91
    1,2-dichlorobenzene 139.45
    ethyl lactate 34.01
    propylene carbonate 147.21
    n-methylformamide 80.49
    2-pentanol 9.72
    n-pentane 1.39
    1-propoxy-2-propanol 39.06
    1-methoxy-2-propyl acetate 123.46
    2-(2-methoxypropoxy) propanol 67.81
    mesitylene 29.2
    ε-caprolactone 177.06
    p-cymene 32.14
    epichlorohydrin 463.84
    1,1,1-trichloroethane 148.16
    2-aminoethanol 6.13
    morpholine-4-carbaldehyde 227.12
    sulfolane 208.56
    2,2,4-trimethylpentane 2.28
    2-methyltetrahydrofuran 104.6
    n-hexyl acetate 86.39
    isooctane 2.01
    2-(2-butoxyethoxy)ethanol 85.04
    sec-butyl acetate 85.48
    tert-butyl acetate 99.92
    decalin 7.49
    glycerin 8.03
    diglyme 315.21
    acrylic acid 41.01
    isopropyl myristate 39.6
    n-butyric acid 49.15
    acetyl acetate 114.66
    di(2-ethylhexyl) phthalate 30.11
    ethyl propionate 109.96
    nitromethane 231.26
    1,2-diethoxyethane 168.95
    benzonitrile 104.25
    trioctyl phosphate 16.86
    1-bromopropane 74.1
    gamma-valerolactone 331.73
    n-decanol 10.85
    triethyl phosphate 56.4
    4-methyl-2-pentanol 11.13
    propionitrile 51.04
    vinylene carbonate 176.3
    1,1,2-trichlorotrifluoroethane 141.99
    DMS 145.48
    cumene 40.47
    2-octanol 11.01
    2-hexanone 97.12
    octyl acetate 39.66
    limonene 32.99
    1,2-dimethoxyethane 194.78
    ethyl orthosilicate 52.34
    tributyl phosphate 28.68
    diacetone alcohol 68.44
    N,N-dimethylaniline 88.24
    acrylonitrile 102.35
    aniline 51.0
    1,3-propanediol 12.81
    bromobenzene 122.67
    dibromomethane 150.12
    1,1,2,2-tetrachloroethane 402.94
    2-methyl-cyclohexyl acetate 83.18
    tetrabutyl urea 44.18
    diisobutyl methanol 20.52
    2-phenylethanol 53.29
    styrene 78.58
    dioctyl adipate 65.84
    dimethyl sulfate 136.07
    ethyl butyrate 116.09
    methyl lactate 34.83
    butyl lactate 40.41
    diethyl carbonate 85.35
    propanediol butyl ether 26.57
    triethyl orthoformate 74.05
    p-tert-butyltoluene 29.74
    methyl 4-tert-butylbenzoate 97.1
    morpholine 137.98
    tert-butylamine 8.2
    n-dodecanol 9.05
    dimethoxymethane 163.11
    ethylene carbonate 116.42
    cyrene 62.04
    2-ethoxyethyl acetate 138.3
    2-ethylhexyl acetate 92.24
    1,2,4-trichlorobenzene 160.9
    4-methylpyridine 193.24
    dibutyl ether 59.04
    2,6-dimethyl-4-heptanol 20.52
    DEF 150.78
    dimethyl isosorbide 190.93
    tetrachloroethylene 233.98
    eugenol 85.0
    triacetin 119.36
    span 80 41.37
    1,4-butanediol 5.59
    1,1-dichloroethane 118.22
    2-methyl-1-pentanol 18.54
    methyl formate 83.4
    2-methyl-1-butanol 13.31
    n-decane 3.96
    butyronitrile 41.68
    3,7-dimethyl-1-octanol 19.44
    1-chlorooctane 22.71
    1-chlorotetradecane 9.56
    n-nonane 3.33
    undecane 2.82
    tert-butylcyclohexane 7.56
    cyclooctane 2.18
    cyclopentanol 15.26
    tetrahydropyran 104.31
    tert-amyl methyl ether 34.15
    2,5,8-trioxanonane 174.39
    1-hexene 19.13
    2-isopropoxyethanol 32.45
    2,2,2-trifluoroethanol 26.75
    methyl butyrate 138.56

    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