2,6-Dimethylnaphthalene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    581-42-0

    Molecular formula
    C12H12

    SMILES
    CC1=CC2=C(C=C1)C=C(C=C2)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Floral 70.44%
    Woody 57.57%
    Sweet 52.81%
    Green 42.09%
    Animal 37.8%
    Oily 37.15%
    Phenolic 36.49%
    Earthy 36.43%
    Camphoreous 34.05%
    Leathery 33.28%

     

    Flavor
    Plastic 39.81%
    Medicinal 31.27%
    Phenolic 30.92%
    Naphthyl 29.11%
    Fecal 23.95%
    Camphor 23.61%
    Guaiacol 23.38%
    Animal 22.06%
    Chemical 21.2%
    Flat 21.15%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    8.46 (weak base)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    264°C

    Flash point

    • 117.98 ˚C est.
    • 214 °F (NTP, 1992)

    Solubility expt.

    • less than 1 mg/mL at 73 °F (NTP, 1992)

  • Synonyms

    • 2,6-DIMETHYLNAPHTHALENE
    • 581-42-0
    • Naphthalene, 2,6-dimethyl-
    • 2,6-DMN
    • 2,6-Dimethyl-naphthalene
    • 76U29QW3FM
    • DTXSID0029187
    • CHEBI:34251
    • EINECS 209-464-0
    • C12H12
    • C14330
    • MFCD00004120
    • NSC 36852
    • NSC-36852
    • AI3-01876
    • CHEMBL194983
    • DTXCID309187
    • 96789-56-9
    • Dimethylnaphthalene (mixture of isomers)
    • J45.113D
    • UNII-76U29QW3FM
    • Naphthalene, 2,6-dimethyl-; 2,6-Dimethylnaphthalene; NSC 36852
    • Naphthalene, dimethyl
    • Naphthalene,dimethyl-
    • Naphthalene, 2,6-(or 2,7)-dimethyl-
    • 2.6-dimethylnaphthalene
    • 2,6-dimethyl-naphtalene
    • Naphthalene, 2,6dimethyl
    • BIDD:ER0559
    • 2,6-Dimethylnaphthalene, 99%
    • DTXSID7025130
    • CHEBI:48853
    • DTXCID001323300
    • NSC36852
    • Tox21_200260
    • BDBM50159257
    • STL507993
    • AKOS015842594
    • CS-W017996
    • FD30070
    • FD59814
    • NCGC00248581-01
    • NCGC00248581-02
    • NCGC00257814-01
    • CAS-581-42-0
    • LS-14057
    • DB-047460
    • A8250
    • D0751
    • NS00007634
    • Q2250787
    • F0001-1516
    • Dimethylnaphthalene (technical) 10 microg/mL in Cyclohexane
    • 209-464-0
    • 249-241-5

  • Applications

    2,6-Dimethylnaphthalene (CAS 581-42-0) is a non-polar aromatic hydrocarbon with two methyl groups at positions 2 and 6. It is primarily used as an intermediate in the synthesis of other naphthalene derivatives and may serve as a non-polar solvent or processing aid in industrial manufacturing. It also appears as a component in coatings and ink formulations as part of hydrocarbon solvent blends, and is evaluated in research and development as a feedstock for polymer chemistry and specialty materials. Additionally, 2,6-Dimethylnaphthalene can function as an analytical reference standard or as a precursor for other intermediates, depending on formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.74
    methanol 8.81
    isopropanol 9.97
    water 0.04
    ethyl acetate 82.25
    n-propanol 17.23
    acetone 85.82
    n-butanol 19.23
    acetonitrile 43.29
    DMF 131.5
    toluene 125.18
    isobutanol 14.78
    1,4-dioxane 293.51
    methyl acetate 93.13
    THF 429.6
    2-butanone 102.53
    n-pentanol 21.88
    sec-butanol 15.84
    n-hexane 68.98
    ethylene glycol 2.83
    NMP 214.55
    cyclohexane 50.63
    DMSO 68.16
    n-butyl acetate 154.79
    n-octanol 25.48
    chloroform 266.79
    n-propyl acetate 88.5
    acetic acid 20.15
    dichloromethane 260.01
    cyclohexanone 182.73
    propylene glycol 3.9
    isopropyl acetate 77.05
    DMAc 163.42
    2-ethoxyethanol 38.24
    isopentanol 24.04
    n-heptane 40.22
    ethyl formate 40.36
    1,2-dichloroethane 242.59
    n-hexanol 45.75
    2-methoxyethanol 36.45
    isobutyl acetate 98.38
    tetrachloromethane 49.58
    n-pentyl acetate 79.58
    transcutol 200.42
    n-heptanol 25.4
    ethylbenzene 139.02
    MIBK 82.7
    2-propoxyethanol 79.89
    tert-butanol 23.38
    MTBE 95.7
    2-butoxyethanol 48.88
    propionic acid 24.55
    o-xylene 104.07
    formic acid 3.75
    diethyl ether 121.04
    m-xylene 91.94
    p-xylene 151.65
    chlorobenzene 125.91
    dimethyl carbonate 75.04
    n-octane 18.09
    formamide 9.22
    cyclopentanone 262.63
    2-pentanone 82.61
    anisole 222.05
    cyclopentyl methyl ether 182.55
    gamma-butyrolactone 231.93
    1-methoxy-2-propanol 32.74
    pyridine 203.62
    3-pentanone 117.41
    furfural 178.45
    n-dodecane 10.25
    diethylene glycol 32.46
    diisopropyl ether 70.84
    tert-amyl alcohol 31.99
    acetylacetone 134.94
    n-hexadecane 12.6
    acetophenone 152.57
    methyl propionate 82.26
    isopentyl acetate 176.87
    trichloroethylene 408.88
    n-nonanol 27.11
    cyclohexanol 28.35
    benzyl alcohol 49.8
    2-ethylhexanol 58.88
    isooctanol 26.07
    dipropyl ether 164.88
    1,2-dichlorobenzene 147.38
    ethyl lactate 33.09
    propylene carbonate 135.54
    n-methylformamide 27.98
    2-pentanol 18.25
    n-pentane 19.93
    1-propoxy-2-propanol 65.2
    1-methoxy-2-propyl acetate 150.5
    2-(2-methoxypropoxy) propanol 92.32
    mesitylene 80.33
    ε-caprolactone 154.77
    p-cymene 86.71
    epichlorohydrin 308.14
    1,1,1-trichloroethane 220.94
    2-aminoethanol 6.35
    morpholine-4-carbaldehyde 210.44
    sulfolane 248.45
    2,2,4-trimethylpentane 23.55
    2-methyltetrahydrofuran 252.42
    n-hexyl acetate 107.42
    isooctane 17.43
    2-(2-butoxyethoxy)ethanol 88.66
    sec-butyl acetate 97.16
    tert-butyl acetate 131.33
    decalin 66.22
    glycerin 7.48
    diglyme 248.7
    acrylic acid 26.01
    isopropyl myristate 76.8
    n-butyric acid 35.7
    acetyl acetate 93.78
    di(2-ethylhexyl) phthalate 61.68
    ethyl propionate 105.12
    nitromethane 69.85
    1,2-diethoxyethane 190.38
    benzonitrile 80.51
    trioctyl phosphate 35.82
    1-bromopropane 129.95
    gamma-valerolactone 238.88
    n-decanol 21.89
    triethyl phosphate 112.54
    4-methyl-2-pentanol 20.68
    propionitrile 49.98
    vinylene carbonate 117.66
    1,1,2-trichlorotrifluoroethane 110.74
    DMS 157.97
    cumene 102.15
    2-octanol 19.48
    2-hexanone 113.86
    octyl acetate 72.39
    limonene 110.85
    1,2-dimethoxyethane 196.76
    ethyl orthosilicate 112.92
    tributyl phosphate 54.81
    diacetone alcohol 69.72
    N,N-dimethylaniline 172.93
    acrylonitrile 61.15
    aniline 63.24
    1,3-propanediol 11.02
    bromobenzene 174.81
    dibromomethane 176.24
    1,1,2,2-tetrachloroethane 315.27
    2-methyl-cyclohexyl acetate 169.51
    tetrabutyl urea 75.29
    diisobutyl methanol 49.98
    2-phenylethanol 84.73
    styrene 141.75
    dioctyl adipate 106.35
    dimethyl sulfate 112.92
    ethyl butyrate 148.12
    methyl lactate 28.09
    butyl lactate 41.85
    diethyl carbonate 123.7
    propanediol butyl ether 27.28
    triethyl orthoformate 135.49
    p-tert-butyltoluene 90.45
    methyl 4-tert-butylbenzoate 132.61
    morpholine 188.36
    tert-butylamine 24.21
    n-dodecanol 19.61
    dimethoxymethane 115.06
    ethylene carbonate 98.0
    cyrene 89.22
    2-ethoxyethyl acetate 119.17
    2-ethylhexyl acetate 184.97
    1,2,4-trichlorobenzene 194.53
    4-methylpyridine 173.36
    dibutyl ether 112.44
    2,6-dimethyl-4-heptanol 49.98
    DEF 123.91
    dimethyl isosorbide 252.46
    tetrachloroethylene 173.33
    eugenol 101.09
    triacetin 119.73
    span 80 62.2
    1,4-butanediol 6.08
    1,1-dichloroethane 126.24
    2-methyl-1-pentanol 34.77
    methyl formate 33.04
    2-methyl-1-butanol 24.61
    n-decane 17.16
    butyronitrile 43.52
    3,7-dimethyl-1-octanol 38.41
    1-chlorooctane 56.75
    1-chlorotetradecane 29.34
    n-nonane 17.33
    undecane 12.68
    tert-butylcyclohexane 64.14
    cyclooctane 33.36
    cyclopentanol 31.84
    tetrahydropyran 211.28
    tert-amyl methyl ether 107.8
    2,5,8-trioxanonane 174.32
    1-hexene 112.97
    2-isopropoxyethanol 40.98
    2,2,2-trifluoroethanol 13.1
    methyl butyrate 111.4

    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

Botanical

Name CAS Botanical Proportion
Rhubarb root Rheum palmatum L., fam. Polygonaceae 0.01%