1,6-Dimethylnaphthalene

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  • Identifiers

    CAS number
    575-43-9

    Molecular formula
    C12H12

    SMILES
    CC1=CC2=CC=CC(=C2C=C1)C

    Safety labels

  • Odor profile

    Fragrance
    Floral 67.23%
    Woody 58.15%
    Sweet 45.27%
    Green 44.68%
    Animal 38.87%
    Earthy 37.91%
    Phenolic 35.96%
    Oily 35.81%
    Leathery 35.73%
    Camphoreous 32.95%

     

    Flavor
    Plastic 38.29%
    Medicinal 30.86%
    Phenolic 30.63%
    Naphthyl 28.21%
    Camphor 24.42%
    Fecal 24.24%
    Guaiacol 23.43%
    Animal 22.83%
    Flat 21.54%
    Leather 20.86%

     

    Odor impact est.
    Medium

    Odor threshold

    • Odor low= 0.0428 mg/cu m, high= 0.0428 mg/cu m /Dimethylnaphthalene/.

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.71 (neutral)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • 1.6 °F (NTP, 1992)
    • -16.9 °C

    Boiling point

    • 509 to 511 °F at 760 mmHg (NTP, 1992)
    • 264 °C

    Flash point

    • 109.15 ˚C est.
    • greater than 230 °F (NTP, 1992)
    • This chemical has a flash point of >110 °C (>230 °F).

    Solubility expt.

    • less than 1 mg/mL at 68.9 °F (NTP, 1992)
    • Insoluble in water; sol in ether and benzene

  • Synonyms

    • 1,6-DIMETHYLNAPHTHALENE
    • 575-43-9
    • Naphthalene, 1,6-dimethyl-
    • DXN13WI5EY
    • DTXSID7022415
    • NSC-52966
    • DTXCID302415
    • CHEBI:34065
    • RefChem:73604
    • 209-385-1
    • 1,6-DMN
    • MFCD00004039
    • 1,6-Dimethyl-Naphthalene
    • MLS002667564
    • CHEMBL363803
    • 1,?6-?Dimethylnaphthalene
    • SMR001216530
    • HSDB 6024
    • EINECS 209-385-1
    • UNII-DXN13WI5EY
    • NSC 52966
    • AI3-17608
    • MLS001050091
    • BIDD:ER0552
    • SCHEMBL599599
    • SCHEMBL667083
    • SCHEMBL669061
    • orb2939409
    • SCHEMBL1535589
    • SCHEMBL1649856
    • SCHEMBL9803170
    • 1,6-Dimethylnaphthalene, 99%
    • SCHEMBL29453431
    • SCHEMBL29580405
    • WLN: L66J B1 H1
    • DIMETHYLNAPHTHALENE, 1,6-
    • ALBB-013849
    • NSC52966
    • Tox21_200672
    • BBL019900
    • BDBM50159275
    • MSK160965
    • STL196685
    • AKOS005173948
    • 1,6-DIMETHYLNAPHTHALENE [HSDB]
    • NCGC00091292-01
    • NCGC00091292-02
    • NCGC00258226-01
    • CAS-575-43-9
    • VS-07023
    • 1,6-Dimethylnaphthalene, analytical standard
    • CS-0314686
    • NS00020005
    • ST45022256
    • G77258
    • Q27115787
    • Naphthalene, 1,6-dimethyl-; 1,6-Dimethylnaphthalene; NSC 52966
    • 575-43-9

  • Applications

    1,6-Dimethylnaphthalene is primarily used as a chemical intermediate in the synthesis of other aromatic compounds. It commonly serves as a building block for specialty dyes and pigments, fragrance and aroma compound precursors, and certain polymeric materials. It may be employed in coatings and inks as a component or precursor in resin formulations, and it is occasionally evaluated for pharmaceutical synthesis as an intermediate in more complex molecules. In electronics and optoelectronic material development, it is studied as a potential precursor for specialty materials and high-temperature polymers, with usage governed by formulation needs and regulatory considerations. (CAS 575-43-9).

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 403.26
    methanol 217.45
    isopropanol 227.39
    water 0.05
    ethyl acetate 1555.77
    n-propanol 360.8
    acetone 1436.79
    n-butanol 378.45
    acetonitrile 1080.65
    DMF 967.81
    toluene 1516.63
    isobutanol 216.03
    1,4-dioxane 3355.22
    methyl acetate 1049.49
    THF 4212.83
    2-butanone 1271.46
    n-pentanol 256.72
    sec-butanol 224.65
    n-hexane 795.26
    ethylene glycol 15.68
    NMP 711.36
    cyclohexane 753.97
    DMSO 475.5
    n-butyl acetate 3037.62
    n-octanol 293.07
    chloroform 1953.3
    n-propyl acetate 968.14
    acetic acid 161.26
    dichloromethane 3250.48
    cyclohexanone 2030.68
    propylene glycol 21.15
    isopropyl acetate 729.65
    DMAc 524.23
    2-ethoxyethanol 257.33
    isopentanol 252.85
    n-heptane 1347.74
    ethyl formate 800.0
    1,2-dichloroethane 2284.82
    n-hexanol 895.77
    2-methoxyethanol 376.13
    isobutyl acetate 611.03
    tetrachloromethane 421.64
    n-pentyl acetate 716.35
    transcutol 1027.07
    n-heptanol 294.04
    ethylbenzene 770.58
    MIBK 601.35
    2-propoxyethanol 772.21
    tert-butanol 264.07
    MTBE 752.77
    2-butoxyethanol 305.45
    propionic acid 188.83
    o-xylene 548.57
    formic acid 17.85
    diethyl ether 2583.12
    m-xylene 753.03
    p-xylene 800.42
    chlorobenzene 987.06
    dimethyl carbonate 349.74
    n-octane 289.86
    formamide 71.87
    cyclopentanone 2126.13
    2-pentanone 1390.13
    anisole 926.99
    cyclopentyl methyl ether 1957.71
    gamma-butyrolactone 1739.15
    1-methoxy-2-propanol 263.77
    pyridine 2069.31
    3-pentanone 1189.84
    furfural 806.92
    n-dodecane 129.66
    diethylene glycol 158.82
    diisopropyl ether 531.3
    tert-amyl alcohol 208.18
    acetylacetone 909.63
    n-hexadecane 155.59
    acetophenone 531.41
    methyl propionate 952.13
    isopentyl acetate 1617.8
    trichloroethylene 2574.55
    n-nonanol 271.54
    cyclohexanol 425.36
    benzyl alcohol 275.42
    2-ethylhexanol 801.33
    isooctanol 219.66
    dipropyl ether 3274.19
    1,2-dichlorobenzene 628.96
    ethyl lactate 129.28
    propylene carbonate 724.47
    n-methylformamide 374.56
    2-pentanol 252.99
    n-pentane 414.3
    1-propoxy-2-propanol 623.56
    1-methoxy-2-propyl acetate 979.55
    2-(2-methoxypropoxy) propanol 268.6
    mesitylene 394.84
    ε-caprolactone 1318.86
    p-cymene 544.35
    epichlorohydrin 2169.94
    1,1,1-trichloroethane 1312.91
    2-aminoethanol 44.91
    morpholine-4-carbaldehyde 999.14
    sulfolane 836.33
    2,2,4-trimethylpentane 92.86
    2-methyltetrahydrofuran 2697.6
    n-hexyl acetate 880.07
    isooctane 93.25
    2-(2-butoxyethoxy)ethanol 389.09
    sec-butyl acetate 541.49
    tert-butyl acetate 637.96
    decalin 275.41
    glycerin 24.48
    diglyme 1093.91
    acrylic acid 115.58
    isopropyl myristate 355.08
    n-butyric acid 423.37
    acetyl acetate 585.77
    di(2-ethylhexyl) phthalate 178.35
    ethyl propionate 843.83
    nitromethane 585.48
    1,2-diethoxyethane 1916.65
    benzonitrile 578.47
    trioctyl phosphate 154.02
    1-bromopropane 1724.11
    gamma-valerolactone 1676.57
    n-decanol 215.99
    triethyl phosphate 298.91
    4-methyl-2-pentanol 143.16
    propionitrile 904.12
    vinylene carbonate 649.5
    1,1,2-trichlorotrifluoroethane 257.08
    DMS 542.25
    cumene 413.76
    2-octanol 206.3
    2-hexanone 1000.94
    octyl acetate 413.33
    limonene 861.56
    1,2-dimethoxyethane 1431.51
    ethyl orthosilicate 313.43
    tributyl phosphate 210.64
    diacetone alcohol 298.19
    N,N-dimethylaniline 516.69
    acrylonitrile 741.92
    aniline 511.66
    1,3-propanediol 114.29
    bromobenzene 1281.38
    dibromomethane 2268.99
    1,1,2,2-tetrachloroethane 1347.4
    2-methyl-cyclohexyl acetate 615.8
    tetrabutyl urea 309.91
    diisobutyl methanol 336.38
    2-phenylethanol 506.69
    styrene 895.3
    dioctyl adipate 377.49
    dimethyl sulfate 270.57
    ethyl butyrate 1635.82
    methyl lactate 96.59
    butyl lactate 190.76
    diethyl carbonate 734.94
    propanediol butyl ether 136.35
    triethyl orthoformate 713.26
    p-tert-butyltoluene 459.43
    methyl 4-tert-butylbenzoate 367.77
    morpholine 2545.7
    tert-butylamine 243.36
    n-dodecanol 182.1
    dimethoxymethane 1259.47
    ethylene carbonate 649.2
    cyrene 217.97
    2-ethoxyethyl acetate 757.21
    2-ethylhexyl acetate 1538.98
    1,2,4-trichlorobenzene 581.28
    4-methylpyridine 1859.63
    dibutyl ether 1323.59
    2,6-dimethyl-4-heptanol 336.38
    DEF 1174.79
    dimethyl isosorbide 734.43
    tetrachloroethylene 926.05
    eugenol 263.17
    triacetin 402.76
    span 80 225.43
    1,4-butanediol 40.81
    1,1-dichloroethane 1576.94
    2-methyl-1-pentanol 212.83
    methyl formate 388.89
    2-methyl-1-butanol 239.14
    n-decane 257.27
    butyronitrile 1056.23
    3,7-dimethyl-1-octanol 270.89
    1-chlorooctane 575.33
    1-chlorotetradecane 220.13
    n-nonane 304.21
    undecane 175.94
    tert-butylcyclohexane 231.81
    cyclooctane 348.12
    cyclopentanol 383.23
    tetrahydropyran 3700.38
    tert-amyl methyl ether 554.69
    2,5,8-trioxanonane 571.55
    1-hexene 1495.65
    2-isopropoxyethanol 213.07
    2,2,2-trifluoroethanol 43.27
    methyl butyrate 1055.07

    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