5-Methyl-1-tetralone

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  • Identifiers

    CAS number
    6939-35-1

    Molecular formula
    C11H12O

    SMILES
    CC1=C2CCCC(=O)C2=CC=C1

    Safety labels

  • Odor profile

    Fragrance
    Floral 55.33%
    Sweet 45.15%
    Animal 41.45%
    Coumarinic 39.66%
    Powdery 39.49%
    Hay 38.68%
    Musk 36.68%
    Phenolic 35.99%
    Neroli 33.99%
    Tobacco 33.19%

     

    Flavor
    Bitter 42.91%
    Minty 28.41%
    Phenolic 26.24%
    Tonka 26.11%
    Coumarin 26.02%
    Herbal 25.89%
    Animal 24.67%
    Medicinal 23.44%
    Sweet 22.81%
    Tobacco 22.74%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.4

    pKa est.
    7.45 (neutral)

    Molecular weight
    160.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    288°C

    Flash point

    • 110.12 ˚C est.

  • Synonyms

    • 5-Methyl-1-tetralone
    • 5-methyl-3,4-dihydro-2H-naphthalen-1-one
    • 1(2H)-Naphthalenone, 3,4-dihydro-5-methyl-
    • A481GK7DJQ
    • 3,4-Dihydro-5-methylnaphthalen-1(2H)-one
    • EINECS 230-073-6
    • NSC 57011
    • NSC-57011
    • UNII-A481GK7DJQ
    • DTXSID3052438
    • 3,4-DIHYDRO-5-METHYL-1(2H)-NAPHTHALENONE
    • 5-Methyl-3,4-dihydro-1(2H)-naphthalenone
    • RefChem:103094
    • DTXCID9031010
    • ZYBCYRGGMARDQI-UHFFFAOYSA-N
    • 6939-35-1
    • 5-methyl-3,4-dihydronaphthalen-1(2H)-one
    • 5-METHYL-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONE
    • MFCD08234370
    • MLS002667863
    • 5-methyltetralin-1-one
    • NSC57011
    • 1(2H)-Naphthalenone,3,4-dihydro-5-methyl-
    • SCHEMBL1151194
    • CHEMBL1879817
    • SCHEMBL29501042
    • HMS3079P04
    • GAA93935
    • AKOS006284743
    • MB05378
    • BS-17424
    • SMR001557620
    • SY290497
    • 1(2H)-Naphthalenone,4-dihydro-5-methyl-
    • DB-050692
    • CS-0061215
    • methyl 5-oxo-5,6,7,8-tetrahydronapthalene
    • NS00012246
    • EN300-128052
    • N10511
    • F454599
    • Q27894418
    • Z1198176374
    • 6939-35-1

  • Applications

    5-Methyl-1-tetralone (CAS 6939-35-1) is primarily used as a synthetic intermediate and core scaffold in the synthesis of pharmaceutical and fragrance compounds; it also serves as a building block for polyaromatic derivatives in the polymers/plastics sector and as a precursor for organic electronic/materials applications. In fragrance, it participates in the synthesis of multi-ring aroma compounds; in pharmaceuticals, it acts as an intermediate for complex organic sequences; in polymers, it provides a scaffold for polyaromatic derivatives; and in electronic materials, its tetralone-based derivatives are studied for organic electronic applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 188.32
    methanol 250.43
    isopropanol 122.53
    water 1.56
    ethyl acetate 381.24
    n-propanol 158.95
    acetone 520.9
    n-butanol 148.66
    acetonitrile 424.08
    DMF 806.34
    toluene 289.04
    isobutanol 104.61
    1,4-dioxane 1460.48
    methyl acetate 383.36
    THF 854.24
    2-butanone 396.65
    n-pentanol 113.63
    sec-butanol 86.87
    n-hexane 36.64
    ethylene glycol 62.43
    NMP 517.5
    cyclohexane 45.25
    DMSO 645.55
    n-butyl acetate 333.68
    n-octanol 116.5
    chloroform 1424.51
    n-propyl acetate 279.76
    acetic acid 180.61
    dichloromethane 1556.79
    cyclohexanone 710.41
    propylene glycol 40.41
    isopropyl acetate 224.9
    DMAc 380.26
    2-ethoxyethanol 257.03
    isopentanol 132.04
    n-heptane 30.29
    ethyl formate 271.26
    1,2-dichloroethane 1114.77
    n-hexanol 184.51
    2-methoxyethanol 399.99
    isobutyl acetate 182.07
    tetrachloromethane 211.89
    n-pentyl acetate 223.33
    transcutol 958.26
    n-heptanol 118.93
    ethylbenzene 174.06
    MIBK 223.51
    2-propoxyethanol 400.17
    tert-butanol 145.05
    MTBE 207.29
    2-butoxyethanol 248.7
    propionic acid 169.79
    o-xylene 175.15
    formic acid 70.82
    diethyl ether 371.6
    m-xylene 193.08
    p-xylene 206.43
    chlorobenzene 467.47
    dimethyl carbonate 209.74
    n-octane 22.04
    formamide 157.62
    cyclopentanone 824.87
    2-pentanone 361.14
    anisole 371.03
    cyclopentyl methyl ether 377.7
    gamma-butyrolactone 841.08
    1-methoxy-2-propanol 274.54
    pyridine 731.72
    3-pentanone 317.07
    furfural 723.62
    n-dodecane 18.63
    diethylene glycol 302.9
    diisopropyl ether 101.73
    tert-amyl alcohol 110.66
    acetylacetone 452.22
    n-hexadecane 22.07
    acetophenone 298.53
    methyl propionate 324.96
    isopentyl acetate 255.04
    trichloroethylene 1681.03
    n-nonanol 106.58
    cyclohexanol 156.08
    benzyl alcohol 211.06
    2-ethylhexanol 124.4
    isooctanol 106.06
    dipropyl ether 193.65
    1,2-dichlorobenzene 412.26
    ethyl lactate 121.4
    propylene carbonate 391.24
    n-methylformamide 408.61
    2-pentanol 92.74
    n-pentane 25.83
    1-propoxy-2-propanol 226.9
    1-methoxy-2-propyl acetate 288.66
    2-(2-methoxypropoxy) propanol 202.78
    mesitylene 133.59
    ε-caprolactone 513.11
    p-cymene 97.23
    epichlorohydrin 1115.11
    1,1,1-trichloroethane 664.84
    2-aminoethanol 96.5
    morpholine-4-carbaldehyde 847.91
    sulfolane 807.2
    2,2,4-trimethylpentane 16.69
    2-methyltetrahydrofuran 471.72
    n-hexyl acetate 303.22
    isooctane 18.6
    2-(2-butoxyethoxy)ethanol 304.89
    sec-butyl acetate 178.27
    tert-butyl acetate 236.23
    decalin 38.76
    glycerin 87.9
    diglyme 645.4
    acrylic acid 172.63
    isopropyl myristate 123.34
    n-butyric acid 228.81
    acetyl acetate 240.17
    di(2-ethylhexyl) phthalate 101.02
    ethyl propionate 251.58
    nitromethane 600.97
    1,2-diethoxyethane 389.82
    benzonitrile 364.77
    trioctyl phosphate 76.88
    1-bromopropane 401.46
    gamma-valerolactone 1033.31
    n-decanol 84.33
    triethyl phosphate 117.77
    4-methyl-2-pentanol 75.31
    propionitrile 331.71
    vinylene carbonate 434.72
    1,1,2-trichlorotrifluoroethane 406.14
    DMS 311.14
    cumene 119.1
    2-octanol 89.07
    2-hexanone 281.55
    octyl acetate 150.46
    limonene 124.06
    1,2-dimethoxyethane 610.1
    ethyl orthosilicate 109.94
    tributyl phosphate 96.33
    diacetone alcohol 227.73
    N,N-dimethylaniline 220.94
    acrylonitrile 480.96
    aniline 265.78
    1,3-propanediol 155.24
    bromobenzene 535.61
    dibromomethane 886.32
    1,1,2,2-tetrachloroethane 976.67
    2-methyl-cyclohexyl acetate 167.97
    tetrabutyl urea 130.76
    diisobutyl methanol 80.25
    2-phenylethanol 236.7
    styrene 225.65
    dioctyl adipate 147.84
    dimethyl sulfate 307.3
    ethyl butyrate 218.02
    methyl lactate 135.44
    butyl lactate 136.62
    diethyl carbonate 159.33
    propanediol butyl ether 170.98
    triethyl orthoformate 149.77
    p-tert-butyltoluene 93.62
    methyl 4-tert-butylbenzoate 224.3
    morpholine 933.15
    tert-butylamine 100.04
    n-dodecanol 68.39
    dimethoxymethane 590.24
    ethylene carbonate 370.22
    cyrene 189.99
    2-ethoxyethyl acetate 316.6
    2-ethylhexyl acetate 215.32
    1,2,4-trichlorobenzene 436.1
    4-methylpyridine 625.25
    dibutyl ether 191.78
    2,6-dimethyl-4-heptanol 80.25
    DEF 411.92
    dimethyl isosorbide 358.33
    tetrachloroethylene 685.77
    eugenol 236.4
    triacetin 238.99
    span 80 161.35
    1,4-butanediol 73.46
    1,1-dichloroethane 738.05
    2-methyl-1-pentanol 109.46
    methyl formate 359.38
    2-methyl-1-butanol 111.32
    n-decane 29.05
    butyronitrile 292.22
    3,7-dimethyl-1-octanol 108.02
    1-chlorooctane 124.23
    1-chlorotetradecane 52.63
    n-nonane 28.0
    undecane 22.8
    tert-butylcyclohexane 38.74
    cyclooctane 22.65
    cyclopentanol 158.47
    tetrahydropyran 653.73
    tert-amyl methyl ether 149.06
    2,5,8-trioxanonane 380.87
    1-hexene 122.59
    2-isopropoxyethanol 197.97
    2,2,2-trifluoroethanol 107.82
    methyl butyrate 319.27

    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