1-(1,2,3,4-Tetrahydro-4,4-dimethyl-1-naphthyl)propan-1-one

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  • Identifiers

    CAS number
    74499-60-8

    Molecular formula
    C15H20O

    SMILES
    CCC(=O)C1CCC(C2=CC=CC=C12)(C)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 62.36%
    Floral 62.3%
    Musk 43.61%
    Amber 41.05%
    Dry 40.02%
    Animal 39.79%
    Orris 37.18%
    Fruity 36.68%
    Powdery 36.53%
    Tobacco 29.09%

     

    Flavor
    Woody 44.44%
    Floral 44.03%
    Herbal 36.02%
    Spicy 27.24%
    Minty 27.11%
    Sweet 26.73%
    Balsam 26.23%
    Fruity 25.6%
    Amber 23.24%
    Spice 22.63%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.34 (weak base)

    Molecular weight
    216.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    303°C

    Flash point

    • 132.84 ˚C est.

  • Synonyms

    • 1-(1,2,3,4-Tetrahydro-4,4-dimethyl-1-naphthyl)propan-1-one
    • RefChem:73865
    • 74499-60-8
    • 1-(1,2,3,4-Tetrahydro-4,4-dimethyl-1-naphthalenyl)-1-propanone
    • 1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)propan-1-one
    • 6ELC2PL542
    • 1-Propanone, 1-(1,2,3,4-tetrahydro-4,4-dimethyl-1-naphthalenyl)-
    • EINECS 277-897-2
    • UNII-6ELC2PL542
    • 1-Propionyl-4,4-dimethyl-1,2,3,4-tetrahydronaphthalene
    • SCHEMBL10603105
    • DTXSID30868312
    • 1,1-dimethyl-4-propionyl-tetralin
    • 1-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
    • AKOS017860922
    • NS00013205
    • Q27264734
    • 74499-60-8

  • Applications

    1-(1,2,3,4-Tetrahydro-4,4-dimethyl-1-naphthyl)propan-1-one (CAS 74499-60-8) is primarily used as a versatile building block in organic synthesis, commonly employed as an intermediate in the preparation of more complex fine chemicals for pharmaceutical and agrochemical research. Its bulky aryl ketone framework also makes it of interest as a fragrance/cosmetic intermediate or precursor to aroma compounds. In materials science and coatings research, it can serve as a specialty ketone scaffold for SAR studies and as a starting point to access substituted naphthyl ketones used in advanced materials. Additionally, it is utilized in method development and medicinal chemistry programs as a scaffold for library generation and structure-activity relationship exploration, while its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 484.64
    methanol 525.43
    isopropanol 366.48
    water 0.56
    ethyl acetate 1029.36
    n-propanol 475.1
    acetone 1307.26
    n-butanol 452.66
    acetonitrile 1020.49
    DMF 1735.66
    toluene 1091.22
    isobutanol 329.13
    1,4-dioxane 2105.82
    methyl acetate 905.77
    THF 2167.08
    2-butanone 1020.97
    n-pentanol 213.09
    sec-butanol 228.81
    n-hexane 63.32
    ethylene glycol 51.16
    NMP 1165.04
    cyclohexane 223.96
    DMSO 445.63
    n-butyl acetate 802.98
    n-octanol 150.91
    chloroform 3460.65
    n-propyl acetate 475.27
    acetic acid 309.19
    dichloromethane 3115.26
    cyclohexanone 1909.77
    propylene glycol 63.2
    isopropyl acetate 588.2
    DMAc 975.67
    2-ethoxyethanol 262.04
    isopentanol 363.99
    n-heptane 47.22
    ethyl formate 613.42
    1,2-dichloroethane 2074.37
    n-hexanol 407.63
    2-methoxyethanol 549.25
    isobutyl acetate 344.28
    tetrachloromethane 391.36
    n-pentyl acetate 388.91
    transcutol 1210.87
    n-heptanol 164.79
    ethylbenzene 378.87
    MIBK 474.15
    2-propoxyethanol 611.2
    tert-butanol 361.81
    MTBE 601.14
    2-butoxyethanol 301.35
    propionic acid 324.54
    o-xylene 447.36
    formic acid 79.88
    diethyl ether 1058.6
    m-xylene 545.23
    p-xylene 455.39
    chlorobenzene 1214.07
    dimethyl carbonate 386.54
    n-octane 23.54
    formamide 182.42
    cyclopentanone 1844.79
    2-pentanone 861.88
    anisole 642.07
    cyclopentyl methyl ether 901.83
    gamma-butyrolactone 1770.6
    1-methoxy-2-propanol 390.61
    pyridine 1782.22
    3-pentanone 762.6
    furfural 1236.6
    n-dodecane 18.2
    diethylene glycol 299.61
    diisopropyl ether 225.2
    tert-amyl alcohol 232.19
    acetylacetone 840.13
    n-hexadecane 22.53
    acetophenone 537.91
    methyl propionate 747.28
    isopentyl acetate 677.84
    trichloroethylene 3469.89
    n-nonanol 138.62
    cyclohexanol 484.95
    benzyl alcohol 406.06
    2-ethylhexanol 238.86
    isooctanol 141.24
    dipropyl ether 364.98
    1,2-dichlorobenzene 887.17
    ethyl lactate 150.43
    propylene carbonate 852.11
    n-methylformamide 575.55
    2-pentanol 223.78
    n-pentane 68.45
    1-propoxy-2-propanol 369.16
    1-methoxy-2-propyl acetate 588.62
    2-(2-methoxypropoxy) propanol 267.31
    mesitylene 302.45
    ε-caprolactone 1267.55
    p-cymene 186.06
    epichlorohydrin 2038.78
    1,1,1-trichloroethane 1488.28
    2-aminoethanol 123.9
    morpholine-4-carbaldehyde 1291.86
    sulfolane 1081.04
    2,2,4-trimethylpentane 33.62
    2-methyltetrahydrofuran 1318.42
    n-hexyl acetate 519.64
    isooctane 29.52
    2-(2-butoxyethoxy)ethanol 380.18
    sec-butyl acetate 335.42
    tert-butyl acetate 534.12
    decalin 74.77
    glycerin 96.17
    diglyme 888.88
    acrylic acid 280.43
    isopropyl myristate 188.52
    n-butyric acid 564.77
    acetyl acetate 568.93
    di(2-ethylhexyl) phthalate 171.22
    ethyl propionate 437.5
    nitromethane 822.8
    1,2-diethoxyethane 621.88
    benzonitrile 802.11
    trioctyl phosphate 116.62
    1-bromopropane 993.11
    gamma-valerolactone 1984.52
    n-decanol 100.42
    triethyl phosphate 181.51
    4-methyl-2-pentanol 151.74
    propionitrile 900.89
    vinylene carbonate 956.87
    1,1,2-trichlorotrifluoroethane 645.35
    DMS 502.75
    cumene 211.39
    2-octanol 119.78
    2-hexanone 459.07
    octyl acetate 229.71
    limonene 254.89
    1,2-dimethoxyethane 829.74
    ethyl orthosilicate 176.12
    tributyl phosphate 157.37
    diacetone alcohol 383.42
    N,N-dimethylaniline 354.49
    acrylonitrile 934.18
    aniline 759.74
    1,3-propanediol 243.48
    bromobenzene 1389.87
    dibromomethane 1838.33
    1,1,2,2-tetrachloroethane 2196.84
    2-methyl-cyclohexyl acetate 323.79
    tetrabutyl urea 192.43
    diisobutyl methanol 135.49
    2-phenylethanol 437.28
    styrene 506.36
    dioctyl adipate 242.48
    dimethyl sulfate 439.56
    ethyl butyrate 452.85
    methyl lactate 193.24
    butyl lactate 222.05
    diethyl carbonate 297.78
    propanediol butyl ether 197.84
    triethyl orthoformate 279.85
    p-tert-butyltoluene 178.13
    methyl 4-tert-butylbenzoate 354.42
    morpholine 1804.44
    tert-butylamine 261.2
    n-dodecanol 76.42
    dimethoxymethane 1033.42
    ethylene carbonate 838.0
    cyrene 301.75
    2-ethoxyethyl acetate 551.75
    2-ethylhexyl acetate 533.91
    1,2,4-trichlorobenzene 931.72
    4-methylpyridine 1780.26
    dibutyl ether 291.54
    2,6-dimethyl-4-heptanol 135.49
    DEF 968.43
    dimethyl isosorbide 574.59
    tetrachloroethylene 1415.38
    eugenol 311.54
    triacetin 398.94
    span 80 239.0
    1,4-butanediol 79.38
    1,1-dichloroethane 1726.89
    2-methyl-1-pentanol 221.69
    methyl formate 556.91
    2-methyl-1-butanol 308.42
    n-decane 33.5
    butyronitrile 872.56
    3,7-dimethyl-1-octanol 159.74
    1-chlorooctane 172.15
    1-chlorotetradecane 64.62
    n-nonane 32.47
    undecane 23.52
    tert-butylcyclohexane 60.46
    cyclooctane 60.35
    cyclopentanol 424.16
    tetrahydropyran 1930.95
    tert-amyl methyl ether 338.88
    2,5,8-trioxanonane 491.85
    1-hexene 245.75
    2-isopropoxyethanol 215.74
    2,2,2-trifluoroethanol 144.99
    methyl butyrate 580.44

    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