Musk tibetine

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  • Identifiers

    CAS number
    145-39-1

    Molecular formula
    C13H18N2O4

    SMILES
    CC1=C(C(=C(C(=C1C)[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C

  • Odor profile

    Fragrance
    Musk 79.16%
    Sweet 76.34%
    Fatty 69.9%
    Powdery 57.36%
    Dry 52.92%
    Floral 44.11%
    Soapy 39.67%
    Creamy 33.37%
    Amber 32.15%
    Woody 29.27%

     

    Flavor
    Bitter 60.0%
    Odorless 33.47%
    Bland 24.87%
    Mild 21.18%
    Broom 20.25%
    Cedarleaf 20.04%
    Heather 20.01%
    Genet 19.76%
    Nitrile 19.6%
    Soybean 19.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    6.85 (neutral)

    Molecular weight
    266.29 g/mol

    Flash point

    • 170.51 ˚C est.

  • Synonyms

    • Musk tibetene
    • 145-39-1
    • Musk tibetine
    • Tibetene musk
    • 1-tert-Butyl-3,4,5-trimethyl-2,6-dinitrobenzene
    • Musk tibeten
    • 5-t-Butyl-4,6-dinitro-1,2,3-trimethylbenzene
    • NSC 78470
    • Benzene, 1-(1,1-dimethylethyl)-3,4,5-trimethyl-2,6-dinitro-
    • CCRIS 7623
    • 1-(tert-butyl)-3,4,5-trimethyl-2,6-dinitrobenzene
    • EINECS 205-651-6
    • BRN 2000732
    • 1-tert-Butyl-2,6-dinitro-3,4,5-trimethylbenzene
    • 5-tert-Butyl-1,2,3-trimethyl-4,6-dinitrobenzene
    • DTXSID9044582
    • AI3-02441
    • Benzene, 1-tert-butyl-2,6-dinitro-3,4,5-trimethyl-
    • CMN65165X5
    • NSC-78470
    • Benzene, 1-(1,1-dimethylethyl)-2,6-dinitro-3,4,5-trimethyl-
    • 5-tert-Butyl-4,6-dinitro-1,2,3-trimethylbenzene
    • Benzene, 1-tert-butyl-3,4,5-trimethyl-2,6-dinitro-
    • DTXCID7024582
    • 2,6-Dinitro-3,4,5-trimethyl-tert-butylbenzene
    • 3-05-00-01055 (Beilstein Handbook Reference)
    • Xylolmoschus
    • UNII-CMN65165X5
    • MUSKTIBETEN
    • 4,6-DINITRO-5-tert-BUTYLHEMIMELLITENE
    • SCHEMBL1224154
    • CHEMBL3188624
    • NSC78470
    • Tox21_301938
    • AKOS024319078
    • AKOS040742187
    • Benzene,4,5-trimethyl-2,6-dinitro-
    • Benzene,6-dinitro-3,4,5-trimethyl-
    • NCGC00255925-01
    • CAS-145-39-1
    • Musk tibeten 10 microg/mL in Cyclohexane
    • DB-042779
    • HY-116108
    • CS-0063983
    • NS00007843
    • 5-tert-Butyl-1,3-trimethyl-4,6-dinitrobenzene
    • 1-tert-Butyl-3,4,5-trimethyl-2,6-dinitrobenzene #
    • Q27275538
    • Benzene,1-dimethylethyl)-2,6-dinitro-3,4,5-trimethyl-
    • Benzene,1-dimethylethyl)-3,4,5-trimethyl-2,6-dinitro-
    • BENZENE,1-(1,1-DIMETHYLETHYL)-3,4,5-TRIMETHYL-2,6-DINITRO-
    • 205-651-6

  • Applications

    Musk tibetine (CAS 145-39-1) is typically used as an odorant and fixative in perfumery, helping to impart a musk note with extended fragrance longevity; it is commonly incorporated into cosmetics and personal care products such as lotions, creams, and fragrances to provide a subtle musk aroma; it also appears in household products like air fresheners and cleaners to contribute a lasting scent; in fragrance chemistry it may serve as an intermediate or building block for more complex musk-related fragrances; and it is sometimes evaluated for use in polymers or plastics where a controlled musk scent release is desired, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.52
    methanol 23.76
    isopropanol 29.63
    water 0.23
    ethyl acetate 178.22
    n-propanol 29.74
    acetone 230.6
    n-butanol 29.43
    acetonitrile 114.55
    DMF 356.27
    toluene 137.11
    isobutanol 26.63
    1,4-dioxane 311.48
    methyl acetate 205.78
    THF 505.09
    2-butanone 208.02
    n-pentanol 28.49
    sec-butanol 34.64
    n-hexane 8.4
    ethylene glycol 11.58
    NMP 406.77
    cyclohexane 22.28
    DMSO 164.58
    n-butyl acetate 139.02
    n-octanol 39.94
    chloroform 226.53
    n-propyl acetate 102.15
    acetic acid 37.2
    dichloromethane 238.68
    cyclohexanone 320.98
    propylene glycol 12.64
    isopropyl acetate 117.02
    DMAc 335.57
    2-ethoxyethanol 50.52
    isopentanol 30.02
    n-heptane 10.33
    ethyl formate 122.01
    1,2-dichloroethane 208.82
    n-hexanol 53.95
    2-methoxyethanol 79.61
    isobutyl acetate 70.54
    tetrachloromethane 42.6
    n-pentyl acetate 110.3
    transcutol 58.34
    n-heptanol 36.9
    ethylbenzene 72.14
    MIBK 98.69
    2-propoxyethanol 105.37
    tert-butanol 44.34
    MTBE 68.01
    2-butoxyethanol 61.67
    propionic acid 48.78
    o-xylene 90.57
    formic acid 16.32
    diethyl ether 75.02
    m-xylene 92.05
    p-xylene 101.97
    chlorobenzene 198.97
    dimethyl carbonate 107.18
    n-octane 9.91
    formamide 40.7
    cyclopentanone 488.31
    2-pentanone 155.78
    anisole 130.8
    cyclopentyl methyl ether 153.59
    gamma-butyrolactone 475.29
    1-methoxy-2-propanol 65.18
    pyridine 299.99
    3-pentanone 155.17
    furfural 378.69
    n-dodecane 8.85
    diethylene glycol 65.1
    diisopropyl ether 33.61
    tert-amyl alcohol 44.51
    acetylacetone 272.76
    n-hexadecane 10.85
    acetophenone 164.42
    methyl propionate 162.41
    isopentyl acetate 115.82
    trichloroethylene 406.03
    n-nonanol 40.32
    cyclohexanol 52.18
    benzyl alcohol 79.85
    2-ethylhexanol 46.31
    isooctanol 31.26
    dipropyl ether 50.15
    1,2-dichlorobenzene 192.31
    ethyl lactate 51.97
    propylene carbonate 242.1
    n-methylformamide 108.98
    2-pentanol 26.29
    n-pentane 7.31
    1-propoxy-2-propanol 70.0
    1-methoxy-2-propyl acetate 136.31
    2-(2-methoxypropoxy) propanol 67.8
    mesitylene 59.84
    ε-caprolactone 269.2
    p-cymene 54.1
    epichlorohydrin 439.67
    1,1,1-trichloroethane 199.94
    2-aminoethanol 17.04
    morpholine-4-carbaldehyde 336.51
    sulfolane 413.18
    2,2,4-trimethylpentane 6.6
    2-methyltetrahydrofuran 261.3
    n-hexyl acetate 130.75
    isooctane 5.08
    2-(2-butoxyethoxy)ethanol 66.44
    sec-butyl acetate 75.24
    tert-butyl acetate 122.87
    decalin 17.25
    glycerin 19.61
    diglyme 121.23
    acrylic acid 49.39
    isopropyl myristate 58.71
    n-butyric acid 62.08
    acetyl acetate 142.4
    di(2-ethylhexyl) phthalate 60.09
    ethyl propionate 110.34
    nitromethane 196.3
    1,2-diethoxyethane 72.98
    benzonitrile 158.58
    trioctyl phosphate 48.24
    1-bromopropane 97.25
    gamma-valerolactone 495.12
    n-decanol 33.49
    triethyl phosphate 64.96
    4-methyl-2-pentanol 21.29
    propionitrile 92.11
    vinylene carbonate 220.19
    1,1,2-trichlorotrifluoroethane 139.69
    DMS 165.34
    cumene 47.45
    2-octanol 35.79
    2-hexanone 111.55
    octyl acetate 78.45
    limonene 62.47
    1,2-dimethoxyethane 148.95
    ethyl orthosilicate 52.26
    tributyl phosphate 49.35
    diacetone alcohol 102.43
    N,N-dimethylaniline 86.7
    acrylonitrile 133.88
    aniline 86.92
    1,3-propanediol 29.76
    bromobenzene 223.87
    dibromomethane 156.51
    1,1,2,2-tetrachloroethane 265.31
    2-methyl-cyclohexyl acetate 99.09
    tetrabutyl urea 76.33
    diisobutyl methanol 28.4
    2-phenylethanol 119.36
    styrene 77.9
    dioctyl adipate 79.92
    dimethyl sulfate 184.7
    ethyl butyrate 100.98
    methyl lactate 63.01
    butyl lactate 61.28
    diethyl carbonate 81.04
    propanediol butyl ether 46.25
    triethyl orthoformate 66.31
    p-tert-butyltoluene 54.91
    methyl 4-tert-butylbenzoate 129.74
    morpholine 220.66
    tert-butylamine 27.01
    n-dodecanol 27.19
    dimethoxymethane 170.75
    ethylene carbonate 177.15
    cyrene 121.3
    2-ethoxyethyl acetate 128.15
    2-ethylhexyl acetate 111.14
    1,2,4-trichlorobenzene 201.5
    4-methylpyridine 281.59
    dibutyl ether 46.32
    2,6-dimethyl-4-heptanol 28.4
    DEF 173.93
    dimethyl isosorbide 171.96
    tetrachloroethylene 150.5
    eugenol 103.87
    triacetin 111.54
    span 80 63.54
    1,4-butanediol 17.11
    1,1-dichloroethane 164.89
    2-methyl-1-pentanol 31.56
    methyl formate 135.76
    2-methyl-1-butanol 29.18
    n-decane 13.23
    butyronitrile 86.24
    3,7-dimethyl-1-octanol 39.49
    1-chlorooctane 45.63
    1-chlorotetradecane 24.71
    n-nonane 12.16
    undecane 10.7
    tert-butylcyclohexane 14.09
    cyclooctane 10.74
    cyclopentanol 74.52
    tetrahydropyran 203.67
    tert-amyl methyl ether 63.52
    2,5,8-trioxanonane 97.12
    1-hexene 27.01
    2-isopropoxyethanol 44.81
    2,2,2-trifluoroethanol 33.18
    methyl butyrate 133.97

    Scent© AI

1 4

IFRA standard 51

Recommendation
Prohibition
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0 %
Category 2
Products applied to the axillae
 0 % Category 7B
Leave-on products applied to the hair with some hand contact
 0 %
Category 3
Products applied to the face/body using fingertips
 0 % Category 8
Products with significant anogenital exposure
 0 %
Category 4
Products related to fine fragrance
 0 % Category 9
Products with body and hand exposure, primarily rinse off
 0 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0 % Category 10A
Household care products with mostly hand contact
 0 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0 %
Category 5D
Baby Creams, baby Oils and baby talc
 0 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0 %
Category 6
Products with oral and lip exposure
 0 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 0 %

Prohibition
Musk tibetene should not be used as a fragrance ingredient.