Musk ambrette

Overview IFRA Request a quote

  • Identifiers

    CAS number
    83-66-9

    Molecular formula
    C12H16N2O5

    SMILES
    CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-]

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 79.88%
    Musk 66.96%
    Floral 61.79%
    Powdery 54.61%
    Fatty 52.02%
    Dry 46.48%
    Soapy 35.2%
    Creamy 32.99%
    Woody 30.55%
    Honey 27.93%

     

    Flavor
    Bitter 68.86%
    Odorless 35.48%
    Bland 27.5%
    Mild 20.49%
    Broom 19.87%
    Cedarleaf 19.86%
    Heather 19.79%
    Parsley 19.56%
    Genet 19.43%
    Sweet-like 19.26%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    7.57 (neutral)

    Molecular weight
    268.27 g/mol

    Melting point expt.

    • 183 to 187 °F (NTP, 1992)
    • 85 °C

    Boiling point

    • 275 °F at 16 mmHg (NTP, 1992)
    • 185 °C at 16 mm Hg

    Flash point

    • 138.76 ˚C est.

    Solubility expt.

    • Insoluble (NTP, 1992)
    • Slightly soluble in ethanol; soluble in ethyl ether, chloroform
    • In water, 0.79 mg/L at temp. unspecified

  • Synonyms

    • MUSK AMBRETTE
    • 83-66-9
    • Amber musk
    • Ambrette musk
    • 4-tert-Butyl-2,6-dinitro-3-methoxytoluene
    • 4-tert-Butyl-3-methoxy-2,6-dinitrotoluene
    • Musk ambrette (artificial)
    • Synthetic musk ambrette
    • Artificial musk ambrette
    • 1-(tert-butyl)-2-methoxy-4-methyl-3,5-dinitrobenzene
    • 1-tert-Butyl-2-methoxy-4-methyl-3,5-dinitrobenzene
    • 6-tert-Butyl-3-methyl-2,4-dinitroanisole
    • Musk ambrette (VAN)
    • 2,6-Dinitro-3-methoxy-4-tert-butyltoluene
    • NSC 46122
    • CCRIS 2390
    • Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-3,5-dinitro-
    • 2,4-Dinitro-3-methyl-6-tert-butylanisole
    • EINECS 201-493-7
    • Anisole, 6-tert-butyl-3-methyl-2,4-dinitro-
    • BRN 1889437
    • MUSKAMBRETTE
    • DTXSID7025689
    • 4-tert-Butyl-3-methoxy-1-methyl-2,6-dinitrobenzene
    • AI3-02439
    • HSDB 7693
    • Anisole, 6-t-butyl-3-methyl-2,4-dinitro-
    • Musk ambrette, artificial
    • NSC-46122
    • NSC-59845
    • 1-(1,1-Dimethylethyl)-2-methoxy-4-methyl-3,5-dinitrobenzene
    • 55V150W8R6
    • 2,6-Dinitro-3-methoxy-1-methyl-4-tert-butylbenzene
    • 4-Methoxy-1,3-dinitro-2-methyl-5-tert-butylbenzene
    • MUSK AMBRETTE [IARC]
    • 2-tert-Butyl-4,6-dinitro-5-methylanisole
    • DTXCID705689
    • CHEBI:82495
    • 4-06-00-03402 (Beilstein Handbook Reference)
    • 1-(1,1-Dimethylethyl)-2-methoxy-4-methylbenzene nitrated
    • 6-t-Butyl-3-methyl-2,4-dinitroanisole
    • 6-tert-Butyl-3-methyl-2,4-dinitroanisol
    • FEMA NO. 2758 (GRAS DELISTED)
    • MUSK AMBRETTE (IARC)
    • 5-t-Butyl-1,3-dinitro-4-methoxy-2-methylbenzene
    • Musk ambrette paste
    • WLN: WNR B1 DO1 CNW EX1&1&1
    • Benzene,1-dimethylethyl)-2-methoxy-4-methyl-3,5-dinitro-
    • UNII-55V150W8R6
    • NCIOpen2_002280
    • Oprea1_084169
    • Oprea1_663268
    • SCHEMBL155056
    • 1-tert-butyl-2-methoxy-4-methyl-3,5-dinitro-benzene
    • CHEMBL1373568
    • 2,4Dinitro3methyl6tertbutylanisole
    • 6tertButyl3methyl2,4dinitroanisole
    • Anisole, 6tbutyl3methyl2,4dinitro
    • 2,6Dinitro3methoxy4tertbutyltoluene
    • 2-Methoxy-4-methyl-1-(2-methyl-2-propanyl)-3,5-dinitrobenzene
    • 4tertButyl3methoxy2,6dinitrotoluene
    • NSC46122
    • NSC59845
    • Tox21_201195
    • BBL011670
    • MFCD00024268
    • STK725127
    • Anisole, 6tertbutyl3methyl2,4dinitro
    • AKOS003093534
    • CAS-83-66-9
    • 4-t-butyl-3-methoxy-2,6-dinitrotoluene
    • NCGC00091130-01
    • NCGC00091130-03
    • NCGC00091130-04
    • NCGC00258747-01
    • AS-64958
    • 2,6Dinitro3methoxy1methyl4tertbutylbenzene
    • 4Methoxy1,3dinitro2methyl5tertbutylbenzene
    • 4tertButyl3methoxy1methyl2,6dinitrobenzene
    • Musk ambrette 10 microg/mL in Cyclohexane
    • 6-tert-butyl-3-methyl-2,4-dinitro anisole
    • Anisole, 6tertbutyl3methyl2,4dinitro (8CI)
    • B1379
    • CS-0314530
    • NS00004439
    • 2-methoxy-3,5-dinitro-4-methyl-t-butylbenzene
    • C19461
    • E78966
    • 2,6-DINITRO-3-METHOXY-4-T-BUTYLTOLUENE
    • Benzene, 1(1,1dimethylethyl)2methoxy4methyl3,5
    • 1-Methyl-4-t-butyl-3-methoxy-2,6-dinitrobenzene
    • 1(1,1Dimethylethyl)2methoxy4methyl3,5dinitrobenzene
    • Anisole, 6-tert-butyl-3-methyl-2,4-dinitro-(8CI)
    • Q26841326
    • 1-tert-Butyl-2-methoxy-4-methyl-3,5-dinitrobenzene #
    • 5-TERT-BUTYL-1,3-DINITRO-4-METHOXY-2-METHYLBENZENE
    • BENZENE,5-TERT.BUTYL,1,3-DINITRO,4-METHOXY,2-METHYL MUSCAMBRETTE
    • BENZENE,5-TERT.BUTYL,1,3-DINITRO,4-METHOXY,2-METHYL MUSCAMBRETTE

  • Applications

    Musk ambrette, CAS 83-66-9, is principally used in perfumery as a musk fragrance ingredient and a fixative to extend scent longevity in products. It is also employed in cosmetics and personal care as a fragrance component in items such as perfumes and body care formulations. In household products, including detergents and cleaners, it helps impart a musk note. In coatings, inks, and plastics, it may be added as an odorant or scent-enhancing additive. It can serve as an intermediate in fragrance synthesis. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 45.24
    methanol 45.3
    isopropanol 37.27
    water 0.3
    ethyl acetate 388.51
    n-propanol 37.96
    acetone 559.53
    n-butanol 37.45
    acetonitrile 441.97
    DMF 902.17
    toluene 190.3
    isobutanol 33.98
    1,4-dioxane 521.16
    methyl acetate 522.63
    THF 1101.28
    2-butanone 427.51
    n-pentanol 33.12
    sec-butanol 44.25
    n-hexane 6.14
    ethylene glycol 23.78
    NMP 1558.21
    cyclohexane 14.79
    DMSO 522.74
    n-butyl acetate 190.11
    n-octanol 33.08
    chloroform 708.85
    n-propyl acetate 195.41
    acetic acid 167.56
    dichloromethane 943.74
    cyclohexanone 700.79
    propylene glycol 27.48
    isopropyl acetate 202.2
    DMAc 840.95
    2-ethoxyethanol 83.43
    isopentanol 38.01
    n-heptane 7.79
    ethyl formate 254.76
    1,2-dichloroethane 563.23
    n-hexanol 54.19
    2-methoxyethanol 161.39
    isobutyl acetate 106.21
    tetrachloromethane 73.85
    n-pentyl acetate 119.8
    transcutol 128.8
    n-heptanol 31.28
    ethylbenzene 90.82
    MIBK 161.14
    2-propoxyethanol 138.48
    tert-butanol 64.74
    MTBE 95.02
    2-butoxyethanol 66.98
    propionic acid 145.23
    o-xylene 126.08
    formic acid 69.93
    diethyl ether 96.29
    m-xylene 136.24
    p-xylene 139.57
    chlorobenzene 394.27
    dimethyl carbonate 299.19
    n-octane 4.29
    formamide 179.78
    cyclopentanone 1261.9
    2-pentanone 292.17
    anisole 223.7
    cyclopentyl methyl ether 298.47
    gamma-butyrolactone 1603.9
    1-methoxy-2-propanol 130.17
    pyridine 621.87
    3-pentanone 285.81
    furfural 1146.47
    n-dodecane 3.91
    diethylene glycol 111.59
    diisopropyl ether 37.15
    tert-amyl alcohol 61.31
    acetylacetone 648.63
    n-hexadecane 4.84
    acetophenone 313.4
    methyl propionate 406.35
    isopentyl acetate 155.06
    trichloroethylene 1541.66
    n-nonanol 33.48
    cyclohexanol 86.95
    benzyl alcohol 138.02
    2-ethylhexanol 48.55
    isooctanol 27.78
    dipropyl ether 61.86
    1,2-dichlorobenzene 396.22
    ethyl lactate 105.16
    propylene carbonate 750.87
    n-methylformamide 354.63
    2-pentanol 32.71
    n-pentane 5.41
    1-propoxy-2-propanol 92.53
    1-methoxy-2-propyl acetate 238.79
    2-(2-methoxypropoxy) propanol 105.41
    mesitylene 76.48
    ε-caprolactone 607.27
    p-cymene 66.22
    epichlorohydrin 1332.34
    1,1,1-trichloroethane 556.13
    2-aminoethanol 31.21
    morpholine-4-carbaldehyde 893.91
    sulfolane 1497.1
    2,2,4-trimethylpentane 5.69
    2-methyltetrahydrofuran 565.72
    n-hexyl acetate 146.93
    isooctane 4.1
    2-(2-butoxyethoxy)ethanol 93.66
    sec-butyl acetate 117.8
    tert-butyl acetate 215.6
    decalin 14.35
    glycerin 56.17
    diglyme 196.84
    acrylic acid 182.91
    isopropyl myristate 61.4
    n-butyric acid 145.93
    acetyl acetate 352.26
    di(2-ethylhexyl) phthalate 82.77
    ethyl propionate 220.92
    nitromethane 973.14
    1,2-diethoxyethane 90.17
    benzonitrile 306.99
    trioctyl phosphate 53.65
    1-bromopropane 163.08
    gamma-valerolactone 1262.4
    n-decanol 27.83
    triethyl phosphate 100.34
    4-methyl-2-pentanol 26.03
    propionitrile 189.48
    vinylene carbonate 621.44
    1,1,2-trichlorotrifluoroethane 477.94
    DMS 293.86
    cumene 59.29
    2-octanol 25.86
    2-hexanone 168.13
    octyl acetate 85.51
    limonene 85.53
    1,2-dimethoxyethane 249.81
    ethyl orthosilicate 75.7
    tributyl phosphate 65.29
    diacetone alcohol 207.92
    N,N-dimethylaniline 141.47
    acrylonitrile 380.33
    aniline 180.33
    1,3-propanediol 47.82
    bromobenzene 464.45
    dibromomethane 452.42
    1,1,2,2-tetrachloroethane 815.26
    2-methyl-cyclohexyl acetate 161.22
    tetrabutyl urea 93.28
    diisobutyl methanol 31.95
    2-phenylethanol 158.34
    styrene 113.08
    dioctyl adipate 108.93
    dimethyl sulfate 616.31
    ethyl butyrate 163.92
    methyl lactate 174.21
    butyl lactate 83.27
    diethyl carbonate 129.9
    propanediol butyl ether 58.89
    triethyl orthoformate 92.24
    p-tert-butyltoluene 65.33
    methyl 4-tert-butylbenzoate 197.59
    morpholine 453.26
    tert-butylamine 34.51
    n-dodecanol 22.65
    dimethoxymethane 377.7
    ethylene carbonate 458.98
    cyrene 263.74
    2-ethoxyethyl acetate 184.63
    2-ethylhexyl acetate 133.51
    1,2,4-trichlorobenzene 468.55
    4-methylpyridine 541.7
    dibutyl ether 41.54
    2,6-dimethyl-4-heptanol 31.95
    DEF 377.01
    dimethyl isosorbide 338.42
    tetrachloroethylene 411.47
    eugenol 149.83
    triacetin 209.33
    span 80 93.11
    1,4-butanediol 25.09
    1,1-dichloroethane 441.21
    2-methyl-1-pentanol 36.9
    methyl formate 462.33
    2-methyl-1-butanol 37.69
    n-decane 6.19
    butyronitrile 153.17
    3,7-dimethyl-1-octanol 39.96
    1-chlorooctane 36.9
    1-chlorotetradecane 17.16
    n-nonane 5.42
    undecane 4.91
    tert-butylcyclohexane 11.09
    cyclooctane 5.58
    cyclopentanol 157.37
    tetrahydropyran 329.25
    tert-amyl methyl ether 90.93
    2,5,8-trioxanonane 157.84
    1-hexene 28.3
    2-isopropoxyethanol 64.76
    2,2,2-trifluoroethanol 136.16
    methyl butyrate 268.68

    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 ambrette should not be used as a fragrance ingredient.