2,3-Dimethylnaphthalene

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  • Identifiers

    CAS number
    581-40-8

    Molecular formula
    C12H12

    SMILES
    CC1=CC2=CC=CC=C2C=C1C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 47.69%
    Floral 44.83%
    Leathery 39.09%
    Animal 38.92%
    Phenolic 38.66%
    Earthy 36.1%
    Green 31.88%
    Spicy 31.43%
    Musty 31.2%
    Medicinal 30.62%

     

    Flavor
    Plastic 34.59%
    Medicinal 32.05%
    Phenolic 31.0%
    Naphthyl 28.53%
    Camphor 25.44%
    Fecal 24.43%
    Guaiacol 24.23%
    Animal 21.95%
    Flat 21.93%
    Chemical 21.57%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.4

    pKa est.
    7.63 (neutral)

    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

    • 108.06 ˚C est.

  • Synonyms

    • 2,3-DIMETHYLNAPHTHALENE
    • 581-40-8
    • Guajen
    • Naphthalene, 2,3-dimethyl-
    • 35DJ6SE17O
    • 2,3-DMN
    • NSC-36850
    • DTXSID2060383
    • CHEBI:48615
    • RefChem:81860
    • DTXCID6042317
    • 209-463-5
    • MFCD00004119
    • EINECS 209-463-5
    • NSC 36850
    • AI3-17609
    • UNII-35DJ6SE17O
    • SCHEMBL64492
    • SCHEMBL234439
    • orb3023760
    • SCHEMBL6048372
    • SCHEMBL9169786
    • 2,3-Dimethylnaphthalene, 97%
    • CHEMBL1797262
    • SCHEMBL11612286
    • SCHEMBL29518518
    • NSC36850
    • SBB060955
    • STL280251
    • AKOS005208607
    • FD13990
    • MSK166841-1000M
    • AS-57934
    • DB-019789
    • CS-0265372
    • D0750
    • NS00020672
    • ST50409142
    • EN300-98060
    • A12662
    • Q27121291
    • 2,3-Dimethylnaphthalene Solution in Methanol, 1000ug/mL
    • InChI=1/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H
    • 581-40-8

  • Applications

    2,3-Dimethylnaphthalene (CAS 581-40-8) is used primarily as an intermediate in the synthesis of specialty chemicals; it also serves as a non-polar solvent or processing aid in various industrial manufacturing steps. In coatings and inks, it can function as a solvent component within non-polar solvent systems. In analytical practice, it is often used as a reference standard or internal standard for GC/HPLC methods that analyze polycyclic aromatic hydrocarbons. In perfumery, it is evaluated as a potential odorant or fragrance precursor due to its aromatic character. In research settings, it may be employed as a building block for developing related aromatic compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 103.95
    methanol 41.54
    isopropanol 80.76
    water 0.08
    ethyl acetate 708.54
    n-propanol 118.47
    acetone 682.55
    n-butanol 115.08
    acetonitrile 370.52
    DMF 757.09
    toluene 707.51
    isobutanol 84.45
    1,4-dioxane 1196.33
    methyl acetate 587.63
    THF 1606.37
    2-butanone 726.09
    n-pentanol 100.41
    sec-butanol 99.86
    n-hexane 326.99
    ethylene glycol 8.31
    NMP 609.58
    cyclohexane 308.73
    DMSO 258.94
    n-butyl acetate 1405.99
    n-octanol 171.48
    chloroform 1153.35
    n-propyl acetate 565.71
    acetic acid 74.94
    dichloromethane 1740.74
    cyclohexanone 1074.06
    propylene glycol 13.11
    isopropyl acetate 414.16
    DMAc 501.61
    2-ethoxyethanol 122.85
    isopentanol 98.4
    n-heptane 524.91
    ethyl formate 398.2
    1,2-dichloroethane 1304.95
    n-hexanol 297.1
    2-methoxyethanol 153.86
    isobutyl acetate 411.41
    tetrachloromethane 343.96
    n-pentyl acetate 458.37
    transcutol 406.59
    n-heptanol 150.76
    ethylbenzene 589.4
    MIBK 351.35
    2-propoxyethanol 294.21
    tert-butanol 126.06
    MTBE 372.4
    2-butoxyethanol 172.88
    propionic acid 117.6
    o-xylene 422.23
    formic acid 7.85
    diethyl ether 780.05
    m-xylene 433.97
    p-xylene 675.52
    chlorobenzene 590.62
    dimethyl carbonate 275.78
    n-octane 189.06
    formamide 39.76
    cyclopentanone 1307.96
    2-pentanone 621.13
    anisole 661.83
    cyclopentyl methyl ether 792.67
    gamma-butyrolactone 1144.22
    1-methoxy-2-propanol 121.13
    pyridine 1057.48
    3-pentanone 636.06
    furfural 624.25
    n-dodecane 96.08
    diethylene glycol 75.23
    diisopropyl ether 261.05
    tert-amyl alcohol 123.97
    acetylacetone 569.07
    n-hexadecane 116.18
    acetophenone 492.66
    methyl propionate 502.99
    isopentyl acetate 884.23
    trichloroethylene 1676.41
    n-nonanol 164.45
    cyclohexanol 163.66
    benzyl alcohol 182.16
    2-ethylhexanol 335.08
    isooctanol 126.03
    dipropyl ether 1271.34
    1,2-dichlorobenzene 534.45
    ethyl lactate 107.03
    propylene carbonate 569.27
    n-methylformamide 225.24
    2-pentanol 102.39
    n-pentane 142.78
    1-propoxy-2-propanol 292.56
    1-methoxy-2-propyl acetate 560.16
    2-(2-methoxypropoxy) propanol 181.82
    mesitylene 288.34
    ε-caprolactone 773.06
    p-cymene 411.34
    epichlorohydrin 1253.98
    1,1,1-trichloroethane 1050.44
    2-aminoethanol 21.36
    morpholine-4-carbaldehyde 671.27
    sulfolane 714.01
    2,2,4-trimethylpentane 60.17
    2-methyltetrahydrofuran 1096.92
    n-hexyl acetate 542.33
    isooctane 51.3
    2-(2-butoxyethoxy)ethanol 218.94
    sec-butyl acetate 384.76
    tert-butyl acetate 414.77
    decalin 191.62
    glycerin 14.96
    diglyme 587.83
    acrylic acid 83.51
    isopropyl myristate 280.3
    n-butyric acid 204.17
    acetyl acetate 378.54
    di(2-ethylhexyl) phthalate 145.63
    ethyl propionate 557.16
    nitromethane 318.17
    1,2-diethoxyethane 898.76
    benzonitrile 381.32
    trioctyl phosphate 117.43
    1-bromopropane 841.45
    gamma-valerolactone 1007.27
    n-decanol 135.1
    triethyl phosphate 275.6
    4-methyl-2-pentanol 72.62
    propionitrile 392.7
    vinylene carbonate 507.3
    1,1,2-trichlorotrifluoroethane 215.85
    DMS 436.31
    cumene 372.52
    2-octanol 136.14
    2-hexanone 583.75
    octyl acetate 301.56
    limonene 532.79
    1,2-dimethoxyethane 734.16
    ethyl orthosilicate 270.22
    tributyl phosphate 171.7
    diacetone alcohol 208.72
    N,N-dimethylaniline 461.18
    acrylonitrile 385.16
    aniline 252.8
    1,3-propanediol 46.94
    bromobenzene 810.34
    dibromomethane 1193.7
    1,1,2,2-tetrachloroethane 980.62
    2-methyl-cyclohexyl acetate 487.62
    tetrabutyl urea 258.4
    diisobutyl methanol 202.89
    2-phenylethanol 299.71
    styrene 615.97
    dioctyl adipate 315.83
    dimethyl sulfate 288.95
    ethyl butyrate 962.21
    methyl lactate 84.05
    butyl lactate 152.94
    diethyl carbonate 566.44
    propanediol butyl ether 82.54
    triethyl orthoformate 499.0
    p-tert-butyltoluene 364.18
    methyl 4-tert-butylbenzoate 328.87
    morpholine 884.0
    tert-butylamine 110.56
    n-dodecanol 119.45
    dimethoxymethane 594.42
    ethylene carbonate 476.17
    cyrene 188.38
    2-ethoxyethyl acetate 464.29
    2-ethylhexyl acetate 890.58
    1,2,4-trichlorobenzene 499.08
    4-methylpyridine 945.79
    dibutyl ether 712.57
    2,6-dimethyl-4-heptanol 202.89
    DEF 649.86
    dimethyl isosorbide 546.12
    tetrachloroethylene 691.96
    eugenol 224.7
    triacetin 331.81
    span 80 146.28
    1,4-butanediol 22.81
    1,1-dichloroethane 914.47
    2-methyl-1-pentanol 98.64
    methyl formate 236.0
    2-methyl-1-butanol 95.03
    n-decane 173.9
    butyronitrile 416.66
    3,7-dimethyl-1-octanol 170.28
    1-chlorooctane 391.97
    1-chlorotetradecane 167.58
    n-nonane 198.95
    undecane 125.17
    tert-butylcyclohexane 172.42
    cyclooctane 177.26
    cyclopentanol 190.36
    tetrahydropyran 1278.45
    tert-amyl methyl ether 332.25
    2,5,8-trioxanonane 373.63
    1-hexene 608.19
    2-isopropoxyethanol 123.2
    2,2,2-trifluoroethanol 39.7
    methyl butyrate 652.59

    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