1-Acetonaphthone

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  • Identifiers

    CAS number
    941-98-0

    Molecular formula
    C12H10O

    SMILES
    CC(=O)C1=CC=CC2=CC=CC=C21

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Floral 94.17%
    Sweet 83.57%
    Powdery 64.74%
    Neroli 60.75%
    Hawthorn 56.08%
    Honey 51.23%
    Coumarinic 49.08%
    Cherry 46.81%
    Hay 45.36%
    Orange 41.99%

     

    Flavor
    Sweet 67.87%
    Hawthorn 47.78%
    Balsam 43.04%
    Cherry 42.61%
    Bitter 42.29%
    Floral 42.22%
    Mimosa 39.63%
    Honey 38.63%
    Phenolic 37.78%
    Powdery 37.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    6.49 (neutral)

    Molecular weight
    170.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    301°C

    Flash point

    • 138.78 ˚C est.

  • Synonyms

    • 1'-Acetonaphthone
    • 941-98-0
    • 1-Acetylnaphthalene
    • 1-Acetonaphthone
    • Methyl 1-naphthyl ketone
    • 1-Acetonaphthalene
    • Ethanone, 1-(1-naphthalenyl)-
    • 1-(naphthalen-1-yl)ethanone
    • 1-(1-Naphthalenyl)ethanone
    • 1-Naphthyl methyl ketone
    • 1-naphthalen-1-ylethanone
    • alpha-Acetonaphthone
    • alpha-Acetylnaphthalene
    • alpha-Naphthyl methyl ketone
    • 1-(1-Naphthyl)ethanone
    • Methyl alpha-naphthyl ketone
    • NSC 7659
    • Ethanone, 1-(naphthalenyl)-
    • 1-(naphthalen-1-yl)ethan-1-one
    • EINECS 213-384-1
    • 1`-Acetonaphthone
    • MFCD00004013
    • BRN 1100618
    • U44R403XVS
    • .alpha.-Acetonaphthone
    • AI3-00673
    • NSC-7659
    • .alpha.-Acetylnaphthalene
    • LIQUID U-80
    • 1-naphthalen-1-yl-ethanone
    • alpha-Methyl naphthyl ketone
    • .alpha.-Naphthyl methyl ketone
    • Methyl .alpha.-naphthyl ketone
    • DTXSID4052635
    • 4-07-00-01292 (Beilstein Handbook Reference)
    • UNII-U44R403XVS
    • 1-Acetonaphtone
    • Acetyl naphthalene
    • methylnaphthylketone
    • 1\'-Acetonaphthone
    • 1'-Acetylnaphthalene
    • 1-Acetonaphthone, 97%
    • 1-(1-Naphthyl)ethanone #
    • SCHEMBL50651
    • ghl.PD_Mitscher_leg0.724
    • 1-(naphthalen-4-yl)ethanone
    • .alpha.-Methyl naphthyl ketone
    • 1-ACETONAPHTHONE [INCI]
    • DTXCID1031208
    • Monomethylnaphthalene Formaldehyde
    • NSC7659
    • HY-I0717
    • STR04053
    • STL183335
    • 1-Acetonaphthone, analytical standard
    • AKOS000118730
    • CS-W020048
    • FS-3189
    • SY013630
    • DB-287152
    • A0052
    • A1044
    • NS00012937
    • EN300-19188
    • D70015
    • Q27290663
    • F0001-2262
    • Z104473080
    • 213-384-1

  • Applications

    1-Acetonaphthone (CAS 941-98-0) is primarily used as an intermediate in fragrance chemistry and in the synthesis of aroma compounds; it serves as a fragrance ingredient or odorant in perfumery and can function as a building block for more complex scent molecules. In cosmetics and personal care, it may be employed as an aroma component. In household products and cleaners, it can appear as a fragrance additive to impart or enhance odor. It is also used as an industrial intermediate in the development of related aromatic compounds. Use and limits are subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 453.29
    methanol 402.21
    isopropanol 247.72
    water 2.13
    ethyl acetate 1075.06
    n-propanol 336.67
    acetone 1624.84
    n-butanol 336.83
    acetonitrile 1162.64
    DMF 2508.29
    toluene 802.47
    isobutanol 206.51
    1,4-dioxane 2757.64
    methyl acetate 1136.25
    THF 2063.14
    2-butanone 1127.81
    n-pentanol 199.57
    sec-butanol 204.77
    n-hexane 140.0
    ethylene glycol 106.38
    NMP 1336.3
    cyclohexane 274.97
    DMSO 1503.29
    n-butyl acetate 840.71
    n-octanol 259.66
    chloroform 3082.77
    n-propyl acetate 741.82
    acetic acid 317.14
    dichloromethane 4723.67
    cyclohexanone 1935.95
    propylene glycol 63.81
    isopropyl acetate 489.17
    DMAc 1063.77
    2-ethoxyethanol 362.18
    isopentanol 203.0
    n-heptane 178.38
    ethyl formate 1073.11
    1,2-dichloroethane 3127.69
    n-hexanol 354.14
    2-methoxyethanol 696.61
    isobutyl acetate 390.9
    tetrachloromethane 498.59
    n-pentyl acetate 486.21
    transcutol 739.19
    n-heptanol 208.33
    ethylbenzene 497.57
    MIBK 433.94
    2-propoxyethanol 544.39
    tert-butanol 232.55
    MTBE 328.16
    2-butoxyethanol 311.82
    propionic acid 365.56
    o-xylene 458.38
    formic acid 76.69
    diethyl ether 969.72
    m-xylene 487.46
    p-xylene 523.07
    chlorobenzene 908.01
    dimethyl carbonate 558.98
    n-octane 97.95
    formamide 327.4
    cyclopentanone 2344.65
    2-pentanone 1060.86
    anisole 745.2
    cyclopentyl methyl ether 982.51
    gamma-butyrolactone 2339.68
    1-methoxy-2-propanol 376.5
    pyridine 1766.84
    3-pentanone 859.4
    furfural 1401.21
    n-dodecane 67.41
    diethylene glycol 347.64
    diisopropyl ether 216.17
    tert-amyl alcohol 176.9
    acetylacetone 974.91
    n-hexadecane 79.26
    acetophenone 612.2
    methyl propionate 935.34
    isopentyl acetate 521.25
    trichloroethylene 3759.23
    n-nonanol 217.4
    cyclohexanol 370.49
    benzyl alcohol 352.92
    2-ethylhexanol 259.52
    isooctanol 158.29
    dipropyl ether 636.82
    1,2-dichlorobenzene 765.27
    ethyl lactate 234.07
    propylene carbonate 1059.79
    n-methylformamide 1249.06
    2-pentanol 185.11
    n-pentane 113.2
    1-propoxy-2-propanol 351.67
    1-methoxy-2-propyl acetate 538.6
    2-(2-methoxypropoxy) propanol 249.45
    mesitylene 275.95
    ε-caprolactone 1414.91
    p-cymene 238.71
    epichlorohydrin 2699.2
    1,1,1-trichloroethane 1546.89
    2-aminoethanol 137.35
    morpholine-4-carbaldehyde 1516.83
    sulfolane 1629.25
    2,2,4-trimethylpentane 34.18
    2-methyltetrahydrofuran 1367.18
    n-hexyl acetate 631.6
    isooctane 33.22
    2-(2-butoxyethoxy)ethanol 364.56
    sec-butyl acetate 379.71
    tert-butyl acetate 404.77
    decalin 118.98
    glycerin 104.87
    diglyme 935.56
    acrylic acid 309.62
    isopropyl myristate 252.49
    n-butyric acid 529.82
    acetyl acetate 549.14
    di(2-ethylhexyl) phthalate 147.31
    ethyl propionate 693.67
    nitromethane 1314.23
    1,2-diethoxyethane 697.56
    benzonitrile 693.91
    trioctyl phosphate 139.95
    1-bromopropane 1333.02
    gamma-valerolactone 2144.32
    n-decanol 168.73
    triethyl phosphate 236.3
    4-methyl-2-pentanol 98.27
    propionitrile 934.79
    vinylene carbonate 1163.15
    1,1,2-trichlorotrifluoroethane 589.44
    DMS 580.73
    cumene 271.06
    2-octanol 177.35
    2-hexanone 665.73
    octyl acetate 316.89
    limonene 323.09
    1,2-dimethoxyethane 1316.28
    ethyl orthosilicate 205.96
    tributyl phosphate 175.26
    diacetone alcohol 322.53
    N,N-dimethylaniline 434.16
    acrylonitrile 1205.14
    aniline 494.75
    1,3-propanediol 251.59
    bromobenzene 1075.45
    dibromomethane 2748.33
    1,1,2,2-tetrachloroethane 2210.73
    2-methyl-cyclohexyl acetate 350.28
    tetrabutyl urea 268.63
    diisobutyl methanol 153.18
    2-phenylethanol 369.46
    styrene 574.24
    dioctyl adipate 298.82
    dimethyl sulfate 700.56
    ethyl butyrate 670.54
    methyl lactate 251.16
    butyl lactate 232.66
    diethyl carbonate 445.44
    propanediol butyl ether 205.62
    triethyl orthoformate 318.62
    p-tert-butyltoluene 202.03
    methyl 4-tert-butylbenzoate 368.69
    morpholine 1928.22
    tert-butylamine 166.73
    n-dodecanol 136.34
    dimethoxymethane 1454.79
    ethylene carbonate 1039.13
    cyrene 282.15
    2-ethoxyethyl acetate 558.8
    2-ethylhexyl acetate 456.3
    1,2,4-trichlorobenzene 712.65
    4-methylpyridine 1507.85
    dibutyl ether 522.03
    2,6-dimethyl-4-heptanol 153.18
    DEF 1190.64
    dimethyl isosorbide 528.56
    tetrachloroethylene 1558.97
    eugenol 342.41
    triacetin 443.63
    span 80 213.49
    1,4-butanediol 106.18
    1,1-dichloroethane 1976.98
    2-methyl-1-pentanol 155.81
    methyl formate 1157.34
    2-methyl-1-butanol 196.48
    n-decane 113.39
    butyronitrile 905.32
    3,7-dimethyl-1-octanol 180.58
    1-chlorooctane 345.59
    1-chlorotetradecane 131.26
    n-nonane 123.38
    undecane 85.77
    tert-butylcyclohexane 90.07
    cyclooctane 109.0
    cyclopentanol 431.17
    tetrahydropyran 1875.54
    tert-amyl methyl ether 278.27
    2,5,8-trioxanonane 512.59
    1-hexene 387.29
    2-isopropoxyethanol 244.47
    2,2,2-trifluoroethanol 182.89
    methyl butyrate 949.34

    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